SCHEMBL8774371

SCHEMBL8774371

CCCCCc1ccc(-c2cnc(F)c(F)c2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.48
RARA P10276 1/20 0.42
RARG P13631 1/20 0.42
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
GPR3 P46089 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR2A P28223 1/20 0.38
NPC1 O15118 3/20 0.38
STAT3 P40763 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
SCHEMBL8774991 0.99 RARB (0.50) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8774727 0.99 RARB (0.50) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8774684 0.96 RARB (0.43) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8774382 0.93 RARB (0.51) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8774508 0.92 RARB (0.53) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8774834 0.92 RARB (0.53) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8774652 0.90 NPC1 (0.42) RARBRAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL8774482 0.89 RARB (0.46) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL9399921 0.84 RARB (0.52) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL9399246 0.84 RARB (0.49) 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