SCHEMBL109348

SCHEMBL109348

CCc1cc(N=C=O)ccc1N=C=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.56
TRPA1 O75762 1/20 0.56
GABRA1 P14867 3/20 0.46
GABRB2 P47870 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11732175 0.87 CYP3A4 (0.51) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL295444 0.86 CYP3A4 (0.53) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL314237 0.85 CYP3A4 (0.61) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL11763846 0.85 CYP3A4 (0.52) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL29376372 0.85 CYP3A4 (0.61) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL28797337 0.84 CYP3A4 (0.49) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL10635526 0.83 CYP3A4 (0.62) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL894932 0.82 CYP3A4 (0.55) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL895208 0.82 CYP3A4 (0.48) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL9318919 0.82 CYP3A4 (0.46) CYP3A4TRPA1GABRA1GABRB2TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1418 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118930806-B Thermoplastic polyurethane and preparation method and application thereof 南开大学 2025-04-15 CN claimed
CN-118930806-A Thermoplastic polyurethane and preparation method and application thereof 南开大学 2024-11-12 CN claimed
CN-118871286-A Post-catalysis of rapid room temperature polymerizations 依视路国际公司 2024-10-29 CN claimed
CN-117363304-B Polyurethane binder for lithium ion battery pole piece, and preparation method and application thereof 南开大学 2024-08-30 CN claimed
CN-117510772-B Comb-shaped water-based polyurethane with temperature-sensitive effect, preparation method and application thereof, water-based ink and preparation method thereof 深圳泊瑞科技有限公司 2024-07-30 CN claimed
CN-118345203-A Non-aldehyde synthetic tanning agent with antibacterial and bacteriostatic properties and preparation method thereof 齐鲁工业大学(山东省科学院) 2024-07-16 CN claimed
CN-118345204-A Amphoteric ion type environment-friendly organic chromium-free tanning agent and preparation method thereof 齐鲁工业大学(山东省科学院) 2024-07-16 CN claimed
CN-117510785-B Water-based polyurethane with visible light color change and ultraviolet light excited fluorescence, preparation method thereof and application thereof in anti-counterfeiting ink 廊坊市安鼎新材料科技有限公司 2024-06-28 CN claimed
CN-117362580-B Intrinsic matte waterborne polyurethane and preparation method thereof 深圳泊瑞科技有限公司 2024-06-21 CN claimed
CN-118165570-A Water-based gravure printing composite ink composition and preparation method and application thereof 常州市华健药用包装材料有限公司 2024-06-11 CN claimed
EP-1448650-B1 METHOD FOR MAKING TRANSPARENT POLYTHIOURETHANE SUBSTRATES IN PARTICULAR OPTICAL SUBSTRATES ESSILOR INT (FR) 2006-11-08 EP claimed
US-7129321-B2 Thiophosphine compounds and methods of making polymerizable compositions containing them and their use for making ophthalmic lenses ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2006-10-31 US claimed
JP-2006521437-A 2006-09-21 JP claimed
EP-1608704-A2 THIOPHOSPHINE COMPOUNDS AND METHOD OF MAKING POLYMERISABLE COMPOSITIONS CONTAINING THEM AND THEIR USE FOR MAKING OPHTALMIC LENSES ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2005-12-28 EP claimed
US-20050107579-A1 Thiophosphine compounds and methods of making polymerizable compositions containing them and their use for making ophthalmic lenses ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2005-05-19 US claimed
US-6887401-B2 Method for making transparent polythiourethane substrates in particular optical substrates ESSILOR INTERNATIONAL COMPAGNIE GENERAL D'OPTIQUE (FR) 2005-05-03 US claimed
WO-2004085447-A2 THIOPHOSPHINE COMPOUNDS AND METHOD OF MAKING POLYMERISABLE COMPOSITIONS CONTAINING THEM AND THEIR USE FOR MAKING OPHTALMIC LENSES ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2004-10-07 WO claimed
EP-1448650-A1 METHOD FOR MAKING TRANSPARENT POLYTHIOURETHANE SUBSTRATES IN PARTICULAR OPTICAL SUBSTRATES ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2004-08-25 EP claimed
US-20030125410-A1 Method for making transparent polythiourethane substrates in particular optical substrates ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE 2003-07-03 US claimed
WO-2003040205-A1 METHOD FOR MAKING TRANSPARENT POLYTHIOURETHANE SUBSTRATES IN PARTICULAR OPTICAL SUBSTRATES ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2003-05-15 WO claimed