SCHEMBL9333793

SCHEMBL9333793

CC#Cc1cnc(-c2ccc(-c3ccc(CCC)c(F)c3F)cc2)nc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ RAB9A P51151 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL9334142 0.85 GRM5 (0.38) CTSLCTSSCTSKRAB9ANPC1
SCHEMBL9334205 0.85 CYP1A1 (0.40) CTSLCTSSCTSK
SCHEMBL9335264 0.84 CYP1A1 (0.42) CTSLCTSSCTSKRAB9ANPC1
SCHEMBL9334280 0.81 RAB9A (0.39) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL9335581 0.79 RARB (0.39) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL9333958 0.79 RAB9A (0.34) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL9337514 0.78 FEN1 (0.37) CTSLCTSSCTSKRAB9ANPC1
SCHEMBL9405879 0.78 RARB (0.54) CTSLCTSSCTSKRAB9ANPC1
SCHEMBL9334032 0.76 CYP1A1 (0.40) CTSLCTSSCTSKHSD17B10
SCHEMBL9337477 0.76 CYP1A1 (0.37) CTSLCTSSCTSKHSD17B10MEN1

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-5328637-A Electrooptical devices; deformation of aligned phases and supertwisted nematic applications; miscibility, solubility HOFFMANN-LA ROCHE INC. (US) 1994-07-12 — — US disclosed
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