SCHEMBL10459587

SCHEMBL10459587

CCCCCc1ccc(-c2ccc(-c3ccc(CCC)cc3F)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.47
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 2/20 0.39
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
GCGR P47871 1/20 0.36
STAT3 P40763 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL10463240 0.99 RARB (0.49) RARBRAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL10460834 0.99 RARB (0.49) RARBRAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL10462098 0.99 RARB (0.49) RARBRAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL10461819 0.96 RARB (0.51) RARBRAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL10462496 0.96 RARB (0.43) RARBRAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL10462520 0.95 RARB (0.53) RARBRAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL10461396 0.95 RARB (0.53) RARBRAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL10460961 0.95 RARB (0.50) RARBRAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL10463085 0.95 RARB (0.50) RARBRAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL10463091 0.95 RARB (0.53) RARBRAB9ASMN1; SMN2HSD17B10NPC1

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
US-4913837-A Heterocyclic compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-04-03 US disclosed