SCHEMBL4416778

SCHEMBL4416778

CCc1ccc(-c2csc(NC(=O)CBr)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.63
NPC1 O15118 4/20 0.63
MAPT P10636 4/20 0.63
PKM P14618 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.60
LMNA P02545 3/20 0.60
KMT2A Q03164 3/20 0.60
WNT3A P56704 1/20 0.60
CASP3 P42574 2/20 0.57
SENP7 Q9BQF6 2/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
MEN1 O00255 2/20 0.56
ELOVL1 Q9BW60 1/20 0.55
TRPA1 O75762 1/20 0.55
RORC P51449 2/20 0.55
ROCK1 Q13464 1/20 0.54
RECQL P46063 1/20 0.53

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
SCHEMBL13570200 0.88 KMT2A (0.60) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL4409450 0.87 KMT2A (0.59) RAB9ANPC1MAPTPKMSMN1; SMN2
SCHEMBL4410618 0.86 MAPT (0.58) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL4414463 0.86 TRPA1 (0.59) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL4420194 0.85 HDAC1 (0.65) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL2093712 0.85 ABL1 (0.70) RAB9ANPC1MAPTPKMSMN1; SMN2
SCHEMBL4408570 0.85 GAA (0.61) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL21586296 0.84 KMT2A (0.74) RAB9AMAPTSMN1; SMN2LMNAKMT2A
SCHEMBL480758 0.84 MAPT (0.71) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL2452315 0.83 ELOVL1 (0.72) RAB9ANPC1MAPTPKMSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009144548-A1 IMIDAZO [2,1-B] PURINE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-03 WO disclosed
WO-2009144548-A1 IMIDAZO [2,1-B] PURINE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-03 WO disclosed