SCHEMBL9775758

SCHEMBL9775758

CCCCCCCc1ncc(-c2ccc(CCC)cc2F)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.47
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 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
GPR3 P46089 1/20 0.38
STAT3 P40763 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL9399702 0.99 RARB (0.45) RARBRAB9ASMN1; SMN2HSD17B10MAPT
SCHEMBL9399674 0.96 RARB (0.51) RARBRAB9ASMN1; SMN2HSD17B10MAPT
SCHEMBL9399246 0.94 RARB (0.49) RARBRAB9ASMN1; SMN2HSD17B10MAPT
SCHEMBL9399660 0.92 RARB (0.50) RARBRAB9ASMN1; SMN2HSD17B10MAPT
SCHEMBL9398841 0.90 NPC1 (0.43) RARBRAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL9399921 0.83 RARB (0.52) RARBRAB9ASMN1; SMN2HSD17B10MAPT
SCHEMBL10463240 0.82 RARB (0.49) RARBRAB9ASMN1; SMN2HSD17B10MAPT
SCHEMBL10460834 0.82 RARB (0.49) RARBRAB9ASMN1; SMN2HSD17B10MAPT
SCHEMBL10462098 0.82 RARB (0.49) RARBRAB9ASMN1; SMN2HSD17B10MAPT
SCHEMBL10978750 0.81 RARB (0.67) RARBRAB9ASMN1; SMN2HSD17B10MAPT

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-5047170-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1991-09-10 US disclosed