SCHEMBL7863701

SCHEMBL7863701

COC(O)NNc1nc2ccc(C(C)C)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.53
NPC1 O15118 9/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
SMN1; SMN2 Q16637 6/20 0.49
SCN4A P35499 1/20 0.49
LRRK2 Q5S007 1/20 0.46
ATAD2 Q6PL18 1/20 0.43
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
DYRK1A Q13627 1/20 0.40
ALOX5 P09917 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 4/20 0.39

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
SCHEMBL7861426 0.87 RAB9A (0.55) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL13201319 0.76 NPC1 (0.61) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL25430401 0.75 NPC1 (0.64) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL19840342 0.75 NPC1 (0.59) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL24407054 0.74 NPC1 (0.55) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL10022348 0.73 NPC1 (0.72) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL15139320 0.72 NPC1 (0.56) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL20049820 0.71 RAB9A (0.69) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL21025994 0.70 RAB9A (0.61) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL24133141 0.70 RAB9A (0.67) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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
WO-2010127272-A2 HYDROXYETHYLAMINO SULFONAMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed