SCHEMBL3384405

SCHEMBL3384405

O=C=Nc1ccc(C=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.60
TSHR P16473 1/20 0.60
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP2A6 P11509 4/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
CYP1A2 P05177 1/20 0.43
TRPA1 O75762 1/20 0.42
ALDH1A1 P00352 5/20 0.42
ALDH1A3 P47895 2/20 0.40
EGFR P00533 1/20 0.40
TYR P14679 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2A13 Q16696 1/20 0.39
ALDH3A1 P30838 1/20 0.37
DRD1 P21728 1/20 0.36
KCNJ1 P48048 1/20 0.36

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
SCHEMBL7761166 0.93 CYP3A4 (0.54) CYP3A4TSHRMAPK1TDP1CYP2A6
SCHEMBL21908188 0.93 CYP3A4 (0.54) CYP3A4TSHRMAPK1TDP1CYP2A6
SCHEMBL21908466 0.93 CYP3A4 (0.54) CYP3A4TSHRMAPK1TDP1CYP2A6
SCHEMBL13799194 0.89 CYP3A4 (0.80) CYP3A4TSHRMAPK1TDP1CYP2A6
SCHEMBL305859 0.85 CYP3A4 (0.54) CYP3A4TSHRMAPK1TDP1CYP1A2
SCHEMBL9680269 0.85 CYP3A4 (0.54) CYP3A4TSHRMAPK1TDP1CYP1A2
SCHEMBL10458458 0.85 CYP3A4 (0.54) CYP3A4TSHRMAPK1TDP1CYP1A2
SCHEMBL10458459 0.85 CYP3A4 (0.54) CYP3A4TSHRMAPK1TDP1CYP1A2
SCHEMBL305858 0.85 CYP3A4 (0.54) CYP3A4TSHRMAPK1TDP1CYP1A2
SCHEMBL9680266 0.85 CYP3A4 (0.54) CYP3A4TSHRMAPK1TDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116410648-B Fast-curing phenolic epoxy paint 安徽众博新材料有限公司 2024-03-19 CN claimed
CN-116512707-A Nanofiber fabric and preparation method thereof 上海诺宝尔纺织科技有限公司 2023-08-01 CN claimed
CN-116410648-A Fast-curing phenolic epoxy paint 安徽众博新材料有限公司 2023-07-11 CN claimed
CN-115197113-A Combretastatin A-4 derivative containing thiourea structure, preparation method and application thereof 南通大学 2022-10-18 CN claimed
CN-122060391-A Reconfigurable organic silicon marine antifouling coating based on dynamic imine bond and double-response borate and preparation method thereof 绍兴长木新材料科技有限公司 2026-05-19 CN disclosed
CN-116410648-B Fast-curing phenolic epoxy paint 安徽众博新材料有限公司 2024-03-19 CN disclosed
CN-116410648-B Fast-curing phenolic epoxy paint 安徽众博新材料有限公司 2024-03-19 CN disclosed
CN-115197113-B Combretastatin A-4 derivative containing thiourea structure, preparation method and application thereof 南通大学 2023-08-18 CN disclosed
CN-116512707-A Nanofiber fabric and preparation method thereof 上海诺宝尔纺织科技有限公司 2023-08-01 CN disclosed
CN-116512707-A Nanofiber fabric and preparation method thereof 上海诺宝尔纺织科技有限公司 2023-08-01 CN disclosed
CN-116410648-A Fast-curing phenolic epoxy paint 安徽众博新材料有限公司 2023-07-11 CN disclosed
CN-116410648-A Fast-curing phenolic epoxy paint 安徽众博新材料有限公司 2023-07-11 CN disclosed
EP-0900810-A1 AROMATIC POLYCARBODIIMIDES AND FILMS THEREOF Nitto Denko Corporation (JP) 1999-03-10 EP disclosed
EP-0859016-A1 Aromatic polycarbodiimide and film thereof NITTO DENKO CORPORATION (JP) 1998-08-19 EP disclosed
EP-0677054-B1 NEW ANTIPARASITIC AGENTS RELATED TO THE MILBEMYCINS AND AVERMECTINS PFIZER (US) 1998-04-01 EP disclosed
EP-0792897-A1 Aromatic polycarbodiimide and films thereof NITTO DENKO CORPORATION (JP) 1997-09-03 EP disclosed
EP-0677054-A1 NEW ANTIPARASITIC AGENTS RELATED TO THE MILBEMYCINS AND AVERMECTINS PFIZER INC. (US) 1995-10-18 EP disclosed
CN-1099394-A Antiparasitic agents PFIZER (US) 1995-03-01 CN disclosed
WO-1994015944-A1 NEW ANTIPARASITIC AGENTS RELATED TO THE MILBEMYCINS AND AVERMECTINS PFIZER LIMITED (GB) 1994-07-21 WO disclosed
US-4205193-A CATALYST FROM ALUMINUM AND TITANIUM COMPOUND, ORGANOOXYGEN COMPOUND AND ORGANOSULFUR CONTAINING COMPOUND MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) 1980-05-27 US disclosed