SCHEMBL8914259

SCHEMBL8914259

[O]c1ccc(N=C=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TRPA1 O75762 1/20 0.45
CYP1A2 P05177 1/20 0.41
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
P2RY6 Q15077 1/20 0.31

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
SCHEMBL15430 0.88 CYP3A4 (0.70) CYP3A4TSHRMAPK1TDP1TRPA1
Ammonia Solution, Strong SCHEMBL28239770 0.85 CYP3A4 (0.67) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL27741428 0.85 CYP3A4 (0.67) CYP3A4TSHRMAPK1TDP1TRPA1
Water SCHEMBL28889229 0.85 CYP3A4 (0.67) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL23721668 0.80 CYP3A4 (0.61) CYP3A4TSHRMAPK1TDP1TRPA1
Cyclohexane SCHEMBL1006843 0.80 CYP3A4 (0.61) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL333217 0.80 CYP3A4 (0.61) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL333218 0.80 CYP3A4 (0.61) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL241534 0.80 CYP3A4 (0.61) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL28301007 0.80 CYP3A4 (0.61) CYP3A4TSHRMAPK1TDP1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9235341-A None JP disclosed
CN-116397441-A Environment-friendly composite-free integrated suede fabric and preparation process thereof 常熟市宏大纺织印染实业有限公司 2023-07-07 CN disclosed
JP-H09235341-A AROMATIC POLYCARBODIIMIDE AND FILM THEREFROM NITTO DENKO CORP 1997-09-09 JP disclosed
US-5260484-A Polytetrahydrofuran derivatives having terminal aromatic groups BASF AKTIENGESELLSCHAFT (DE) 1993-11-09 US disclosed
US-5130454-A POLYTETRAHYDROFURAN DERIVATIVES HAVING TERMINAL AROMATIC GROUPS BASF AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed