SCHEMBL6318550

SCHEMBL6318550

O=C=Nc1ccccc1-c1ccc(Cl)c(Cl)c1N=C=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GALR3 O60755 1/20 0.33
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30

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
SCHEMBL393344 0.83 CYP3A4 (0.44) CYP3A4GABRA1GABRB2MAPK1TDP1
SCHEMBL9183951 0.79 CYP3A4 (0.50) CYP3A4GABRA1GABRB2TDP1
SCHEMBL17847486 0.79 CYP3A4 (0.45) CYP3A4GABRA1GABRB2MAPK1TDP1
SCHEMBL112824 0.78 CYP3A4 (0.56) CYP3A4GABRA1GABRB2MAPK1TDP1
SCHEMBL9629412 0.77 TDP1 (0.44) CYP3A4GABRA1GABRB2MAPK1TDP1
SCHEMBL29099802 0.76 CYP3A4 (0.54) CYP3A4GABRA1GABRB2MAPK1TDP1
SCHEMBL11783399 0.74 MAPK1 (0.48) CYP3A4GABRA1GABRB2MAPK1TDP1
SCHEMBL3213502 0.74 CYP3A4 (0.50) CYP3A4GABRA1GABRB2
SCHEMBL6866459 0.73 CYP3A4 (0.53) CYP3A4GABRA1GABRB2MAPK1TDP1
SCHEMBL3250464 0.73 CYP3A4 (0.37) CYP3A4GABRA1GABRB2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777839-A Dual-curing high-gloss coating composition and preparation method and application thereof 长兴特殊材料(苏州)有限公司 2024-03-29 CN disclosed
CN-116875262-A Pressure-sensitive adhesive composition, application thereof and method for preparing polyurethane 长兴材料工业(广东)有限公司 2023-10-13 CN disclosed
CN-116425942-A Aqueous polyurethane dispersion and composition containing same 长兴化学工业(中国)有限公司 2023-07-14 CN disclosed
CN-104781297-B Polyurethane/polyacrylamide impurity dispersion for the gloss application in household care 路博润先进材料公司 2019-05-14 CN disclosed
US-6914098-B2 Acrylic elastomer and its composition NIPPON MEKIRON, LIMITED (JP) 2005-07-05 US disclosed
EP-0905163-B1 Acrylic elastomer composition NIPPON MEKTRON KK (JP) 2004-10-27 EP disclosed
EP-0943657-B1 Acrylic elastomer composition NIPPON MEKTRON KK (JP) 2004-07-14 EP disclosed
US-20040087729-A1 Acrylic elastomer and its composition MORIYAMA IWAO (JP) 2004-05-06 US disclosed
US-20040019154-A1 Acrylic elastomer and its composition MORIYAMA IWAO (JP) 2004-01-29 US disclosed
US-20020037970-A1 Acrylic elastomer composition MORIYAMA IWAO (JP) 2002-03-28 US disclosed
US-20010005742-A1 Acrylic elastomer and its composition NIPPON MEKTRON, LIMITED 2001-06-28 US disclosed
EP-1110980-A1 Acrylic elastomer and its composition Nippon Mektron, Limited (JP) 2001-06-27 EP disclosed
US-6015860-A POLYFUNCTIONAL (BLOCKED) ISOCYANATE, GUANIDINE, QUATERNARY AMMONIUM SALT, TERTIARY AMINE, AND TERTIARY PHOSPHINE VULCANIZATION ACCELERATOR; HEAT AND SCORCH RESISTANCE; RESILIENCE NIPPON MEKTRON, LIMITED (JP) 2000-01-18 US disclosed
EP-0943657-A2 Acrylic elastomer composition Nippon Mektron, Limited (JP) 1999-09-22 EP disclosed
EP-0905163-A1 Acrylic elastomer composition Nippon Mektron, Limited (JP) 1999-03-31 EP disclosed
US-3969569-A ALLYL ALCOHOL POLYMER AND A POLYISOCYANATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-07-13 US disclosed