SCHEMBL8774917

SCHEMBL8774917

CCCCCc1ccc(-c2ccc(-c3cnc(Cl)c(Cl)c3)cc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.51
RARA P10276 1/20 0.45
RARG P13631 1/20 0.45
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSD11B1 P28845 1/20 0.40
NPC1 O15118 3/20 0.39
STAT3 P40763 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL8774831 0.99 RARB (0.53) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8774251 0.99 RARB (0.53) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8774995 0.96 RARB (0.46) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8774671 0.91 NPC1 (0.42) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8775178 0.86 FEN1 (0.38)
SCHEMBL8774115 0.86 RAB9A (0.49) RARBRARARAB9ASMN1; SMN2MAPT
SCHEMBL9156850 0.85 RARB (0.53) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8774222 0.85 MAPT (0.51) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8774963 0.85 MAPT (0.51) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL9158183 0.84 RARB (0.55) RARBRARARARGRAB9ASMN1; SMN2

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