SCHEMBL8774834

SCHEMBL8774834

CCCCCCc1ccc(-c2ccc(-c3cnc(F)c(F)c3)cc2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.53
RARA P10276 2/20 0.47
RARG P13631 1/20 0.47
MAPT P10636 4/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.40
STAT3 P40763 1/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.39
GPR3 P46089 1/20 0.39
MTOR P42345 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
SCHEMBL8774508 1.00 RARB (0.53) RARBRARARARGMAPTRAB9A
SCHEMBL8774382 0.99 RARB (0.51) RARBRARARARGMAPTRAB9A
SCHEMBL8774482 0.95 RARB (0.46) RARBRARARARGMAPTRAB9A
SCHEMBL8774727 0.94 RARB (0.50) RARBRARARARGMAPTRAB9A
SCHEMBL8774991 0.94 RARB (0.50) RARBRARARARGMAPTRAB9A
SCHEMBL8774371 0.92 RARB (0.48) RARBRARARARGMAPTRAB9A
SCHEMBL8774168 0.90 NPC1 (0.42) RARBRAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL8774898 0.90 RARB (0.57) RARBRARARARGMAPTRAB9A
SCHEMBL8774557 0.90 RARB (0.57) RARBRARARARGMAPTRAB9A
SCHEMBL8774709 0.90 RARB (0.57) RARBRARARARGMAPTRAB9A

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