SCHEMBL4407872

SCHEMBL4407872

CC(C)CCOc1ccc(-c2csc(NC(=O)CBr)n2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CLK1 P49759 1/20 0.47
XIAP P98170 1/20 0.46
TRPA1 O75762 3/20 0.46
POLB P06746 1/20 0.46
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL2453321 0.90 ABL1 (0.51) ABL1MEN1KMT2AMAPTALDH1A1
SCHEMBL2453455 0.87 TRPA1 (0.49) ABL1MEN1KMT2AMAPTALDH1A1
SCHEMBL608664 0.85 ABL1 (0.52) ABL1MEN1KMT2AMAPTALDH1A1
SCHEMBL4407474 0.84 MAPT (0.61) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL4420956 0.82 ALDH1A1 (0.53) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL4417203 0.82 TRPA1 (0.61) ABL1MEN1KMT2AMAPTALDH1A1
SCHEMBL2449783 0.80 TRPA1 (0.60) ABL1MEN1KMT2ATRPA1
SCHEMBL2450413 0.80 ABL1 (0.51) ABL1MEN1KMT2AMAPTNPC1
SCHEMBL2455704 0.80 ABL1 (0.72) ABL1MEN1KMT2AMAPTLMNA
SCHEMBL480870 0.79 TRPA1 (0.49) MEN1KMT2AMAPTALDH1A1MAPK1

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