SCHEMBL30657694

SCHEMBL30657694

O=C=Nc1cccc(C=Cc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.46
MAOB P27338 3/20 0.46
CYP19A1 P11511 2/20 0.46
MAOA P21397 2/20 0.46
RELA Q04206 1/20 0.41
MAPK1 P28482 2/20 0.41
TRPA1 O75762 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
ALOX5 P09917 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
PTPN1 P18031 1/20 0.39
HNF4A P41235 1/20 0.39
CYP3A4 P08684 1/20 0.38
TTR P02766 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
CYP2A6 P11509 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
SCHEMBL28420288 0.84 CYP3A4 (0.41) NFE2L2MAPK1TRPA1ALDH1A1LMNA
SCHEMBL9062961 0.83 NPSR1 (0.54) MAPK1ALDH1A1LMNAALOX5TDP1
SCHEMBL9062957 0.83 NPSR1 (0.54) MAPK1ALDH1A1LMNAALOX5TDP1
SCHEMBL4599981 0.82 CYP3A4 (0.47) NFE2L2MAOBCYP19A1MAOARELA
SCHEMBL29952896 0.82 ALDH1A1 (0.47) MAOBMAOAMAPK1TRPA1ALDH1A1
SCHEMBL4599983 0.82 CYP3A4 (0.47) NFE2L2MAOBCYP19A1MAOARELA
SCHEMBL14690443 0.82 NFE2L2 (0.54) NFE2L2MAOBCYP19A1MAOARELA
SCHEMBL14690442 0.82 NFE2L2 (0.54) NFE2L2MAOBCYP19A1MAOARELA
SCHEMBL14690444 0.82 NFE2L2 (0.54) NFE2L2MAOBCYP19A1MAOARELA
SCHEMBL3626567 0.79 TDP1 (0.44) MAPK1TRPA1ALDH1A1LMNATDP1

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-117143007-A Tetrahydrocarbazole derivative and photocatalytic synthesis method thereof 陕西科技大学 2023-12-01 CN disclosed