SCHEMBL9024733

SCHEMBL9024733

O/N=C(/c1ccccc1)c1nccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.46
RAB9A P51151 3/20 0.44
PLAU P00749 2/20 0.44
PLG P00747 1/20 0.44
CYP2A6 P11509 1/20 0.43
F12 P00748 1/20 0.43
NCF1 P14598 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
BACE1 P56817 1/20 0.43
LMNA P02545 1/20 0.42
CFTR P13569 1/20 0.42
GOPC Q9HD26 1/20 0.42
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL28618223 0.77 CNR2 (0.47) CNR2RAB9APLAUPLGCYP2A6
SCHEMBL31357187 0.77 CNR2 (0.70) CNR2RAB9APLAUCYP2A6F12
SCHEMBL6603107 0.77 PLAU (0.53) CNR2RAB9APLAUPLGCYP2A6
SCHEMBL8564181 0.77 CASP3 (0.49) CNR2RAB9APLAUPLGCYP2A6
SCHEMBL5084291 0.77 CNR2 (0.70) CNR2RAB9APLAUCYP2A6F12
SCHEMBL6449048 0.77 PLAU (0.53) CNR2RAB9APLAUPLGCYP2A6
Water SCHEMBL27550989 0.76 CNR2 (0.68) CNR2RAB9APLAUCYP2A6F12
SCHEMBL30075132 0.74 RAB9A (0.49) CNR2RAB9APLAUPLGCYP2A6
SCHEMBL12438889 0.74 RAB9A (0.49) CNR2RAB9APLAUPLGCYP2A6
SCHEMBL287165 0.74 RAB9A (0.56) CNR2RAB9APLAUPLGCYP2A6

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
EP-0719763-A1 4-(Quinolin-2-yl-methoxy)-phenyl acetic acid derivatives with antiatherosclerotic activity BAYER AG (DE) 1996-07-03 EP disclosed