SCHEMBL30692018

SCHEMBL30692018

Cc1cc(N=C=O)cc(C)c1N=C=O.N=C=O.N=C=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
TRPA1 O75762 1/20 0.46
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.33

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
SCHEMBL1492986 0.94 CYP3A4 (0.50) CYP3A4TRPA1GABRA1GABRB2MAPK1
SCHEMBL407044 0.82 CYP3A4 (0.58) CYP3A4TRPA1GABRA1GABRB2MAPK1
SCHEMBL17961622 0.80 GABRA1 (0.36) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL17961624 0.80 GABRA1 (0.36) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL7002811 0.78 CYP3A4 (0.44) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL1192169 0.78 CYP3A4 (0.42) CYP3A4TRPA1GABRA1GABRB2MAPK1
SCHEMBL1413990 0.78 CYP3A4 (0.42) CYP3A4TRPA1GABRA1GABRB2MAPK1
SCHEMBL1413980 0.78 CYP3A4 (0.52) CYP3A4TRPA1GABRA1GABRB2MAPK1
SCHEMBL8613707 0.78 CYP3A4 (0.52) CYP3A4TRPA1GABRA1GABRB2MAPK1
SCHEMBL28201284 0.77 GABRA1 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110869355-B Benzopyran compound, curable composition containing the compound, and optical article containing cured product formed from the curable composition 株式会社德山 2023-11-14 CN disclosed