SCHEMBL7861426

SCHEMBL7861426

COC(O)Nc1nc2ccc(C(C)C)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.55
NPC1 O15118 9/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.51
SCN4A P35499 1/20 0.51
LRRK2 Q5S007 1/20 0.45
HSD17B10 Q99714 4/20 0.45
ATAD2 Q6PL18 1/20 0.44
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
DYRK1A Q13627 1/20 0.41
ALOX5 P09917 1/20 0.41
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
MAPT P10636 3/20 0.40

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
SCHEMBL7863701 0.87 RAB9A (0.53) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL19840342 0.83 NPC1 (0.59) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL24407054 0.81 NPC1 (0.55) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL13201319 0.78 NPC1 (0.61) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL25430401 0.77 NPC1 (0.64) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL10022348 0.75 NPC1 (0.72) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL15139320 0.74 NPC1 (0.56) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL20049820 0.73 RAB9A (0.69) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL21025994 0.72 RAB9A (0.61) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL24133141 0.72 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