SCHEMBL16404125

SCHEMBL16404125

COc1ccc(C2CCCN2C(=O)c2cc(-c3csc(C)n3)cn2C)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 2/20 0.47
▸ MAPT P10636 4/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ HTT P42858 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ ROCK2 O75116 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL16403960 0.94 SCD (0.42) SCDMAPTCRHBPCRHR2SMN1; SMN2
SCHEMBL16403957 0.90 HSD17B10 (0.52) SCDROCK2
SCHEMBL16403934 0.87 TRPV1 (0.40) MAPTALDH1A1GAAROCK2TRPV1
SCHEMBL16404086 0.86 SCD (0.42) SCDSMN1; SMN2TRPV1
SCHEMBL16403958 0.85 HCRTR1 (0.48) SCDROCK2
SCHEMBL16403937 0.84 NPC1 (0.47) SCDMAPTSMN1; SMN2ALDH1A1ROCK2
SCHEMBL16403930 0.83 NPC1 (0.49) SCDSMN1; SMN2ALDH1A1ROCK2
SCHEMBL16404158 0.73 NPC1 (0.50) MAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL16403918 0.72 NPC1 (0.47) MAPTSMN1; SMN2HTTALDH1A1GAA
SCHEMBL16403992 0.72 RAB9A (0.60) SMN1; SMN2HTTALDH1A1GAAMAPK1

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-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 — — US disclosed
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