SCHEMBL7973673

SCHEMBL7973673

OCc1ccncc1Cc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 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
SCHEMBL5110350 0.82 CYP11B1 (0.47) TSHRKDM4EKDM5B
SCHEMBL7529758 0.79 CYP11B2 (0.51) CYP1A2CYP2C9CYP2C19CYP2D6HPGD
SCHEMBL29900474 0.77 AOC1 (0.43) MAPTGAATSHRKDM4ELMNA
SCHEMBL6249306 0.77 AOC1 (0.43) MAPTGAATSHRKDM4ELMNA
SCHEMBL11632014 0.76 MEN1 (0.47) MEN1MAPTKMT2ACYP3A4HPGD
SCHEMBL5109030 0.75 CYP11B1 (0.47) TSHRKDM4EKDM5B
SCHEMBL30851377 0.75 CYP11B2 (0.54) MAPTHPGDALDH1A1KDM4ENPC1
SCHEMBL3820660 0.75 RPS6KA3 (0.44) MAPTHPGDALDH1A1KDM4ENPC1
Hydrochloric Acid SCHEMBL31303524 0.75 AOC1 (0.45) MAPTCYP2C9CYP2C19GAACYP2D6
Hydrochloric Acid SCHEMBL21618217 0.75 AOC1 (0.45) MAPTCYP2C9CYP2C19GAACYP2D6

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-2001009127-A1 BENZOXAZINE DERIVATIVES AND THEIR THERAPEUTIC USE AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed