SCHEMBL8774831

SCHEMBL8774831

CCCCCCCc1ccc(-c2ccc(-c3cnc(Cl)c(Cl)c3)cc2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.53
RARA P10276 1/20 0.47
RARG P13631 1/20 0.47
RAB9A P51151 4/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 2/20 0.41
STAT3 P40763 1/20 0.41
ATM Q13315 1/20 0.41
HSD11B1 P28845 1/20 0.40
STK17A Q9UEE5 3/20 0.39
STK17B O94768 1/20 0.39

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
SCHEMBL8774251 1.00 RARB (0.53) RARBRARARARGRAB9AMAPT
SCHEMBL8774917 0.99 RARB (0.51) RARBRARARARGRAB9AMAPT
SCHEMBL8774995 0.95 RARB (0.46) RARBRARARARGRAB9AMAPT
SCHEMBL8774671 0.90 NPC1 (0.42) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8774222 0.86 MAPT (0.51) RARBRARARARGRAB9AMAPT
SCHEMBL8774963 0.86 MAPT (0.51) RARBRARARARGRAB9AMAPT
SCHEMBL9159010 0.86 RARB (0.55) RARBRARARARGRAB9AMAPT
SCHEMBL9873704 0.86 RARB (0.55) RARBRARARARGRAB9AMAPT
SCHEMBL9158183 0.86 RARB (0.55) RARBRARARARGRAB9AMAPT
SCHEMBL8775178 0.85 FEN1 (0.38) HTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed