SCHEMBL31606366

SCHEMBL31606366

Cc1cccc(N)c1CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.52
CYP3A4 P08684 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 2/20 0.46
PIK3CA P42336 1/20 0.46
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
ALDH1A1 P00352 5/20 0.40
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 2/20 0.36
CYP2A6 P11509 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL2009339 1.00 CD44 (0.52) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL357603 0.85 GABRA1 (0.48) CD44TSHRGABRA1GABRG2GABRB3
SCHEMBL28179325 0.85 TSHR (0.43) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL7760775 0.85 CD44 (0.46) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL3667054 0.83 CD44 (0.54) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL10581584 0.83 CD44 (0.45) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL10581285 0.81 CD44 (0.43) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL30417664 0.81 CD44 (0.52) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL6344760 0.81 CD44 (0.52) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL455161 0.81 CD44 (0.52) CD44CYP3A4TDP1TSHRPIK3CA

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
WO-2025111184-A1 SUBSTITUTED TETRAHYDROQUINOLINE AND TETRAHYDROQUINOXALINE HERBICIDES FMC CORPORATION (US) 2025-05-30 WO disclosed