SCHEMBL27998626

SCHEMBL27998626

CC(=O)c1cccc2nc(N)sc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASH1L Q9NR48 1/20 0.43
ILK Q13418 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE10A Q9Y233 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 4/20 0.38
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 3/20 0.37
LMNA P02545 1/20 0.37
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
MALT1 Q9UDY8 1/20 0.35

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
SCHEMBL687318 0.85 ALDH1A1 (0.46) ASH1LILKALDH1A1MAPTKMT2A
SCHEMBL984327 0.83 ILK (0.59) ASH1LILKSMN1; SMN2ALDH1A1MAPT
SCHEMBL260372 0.79 ALDH1A1 (0.51) ILKSMN1; SMN2ALDH1A1MAPTKMT2A
Bromide SCHEMBL261347 0.78 ALDH1A1 (0.50) ILKSMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL19729156 0.77 ALDH1A1 (0.53) ILKSMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL74889 0.74 PDPK1 (0.53) ASH1LSMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL30003135 0.73 SMN1; SMN2 (0.56) ASH1LSMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL289210 0.73 SMN1; SMN2 (0.56) ASH1LSMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL23422372 0.72 ELANE (0.44) ASH1LSMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL20297657 0.72 ASH1L (0.44) ASH1LSMN1; SMN2ALDH1A1MAPTGAA

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
CN-104478828-A 2-amino-7-substituted benzothiazole compound as well as preparation method and application thereof ZHANGZHOU PIEN TZE HUANG PHARM 2015-04-01 CN disclosed