SCHEMBL4776763

SCHEMBL4776763

[c]1nn[nH]c1-c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
RPS6KB2 Q9UBS0 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNH2 Q12809 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NISCH Q9Y2I1 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ATM Q13315 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37

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
SCHEMBL16969444 0.69 POLB (0.47) POLBRPS6KB2SMN1; SMN2MEN1MAPT
SCHEMBL558390 0.67 RAB9A (0.38) POLBKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL3545 0.65 L3MBTL1 (0.57) POLBRPS6KB2SMN1; SMN2MEN1MAPT
SCHEMBL16291133 0.65 L3MBTL1 (0.57) POLBRPS6KB2SMN1; SMN2MEN1MAPT
SCHEMBL1906119 0.63 POLB (0.41) POLBSMN1; SMN2MEN1MAPTKMT2A
Ammonia Solution, Strong SCHEMBL34467257 0.63 L3MBTL1 (0.55) POLBRPS6KB2SMN1; SMN2MEN1MAPT
Fluoride SCHEMBL491501 0.63 L3MBTL1 (0.55) POLBRPS6KB2SMN1; SMN2MEN1MAPT
Benzene SCHEMBL29089513 0.63 L3MBTL1 (0.55) POLBRPS6KB2SMN1; SMN2MEN1MAPT
Hydrogen Sulfide SCHEMBL22588115 0.63 L3MBTL1 (0.55) POLBRPS6KB2SMN1; SMN2MEN1MAPT
SCHEMBL29776515 0.63 L3MBTL1 (0.55) POLBRPS6KB2SMN1; SMN2MEN1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4559335-A 3-Acylamino-1-carboxymethyloxy (or thio) carbonyl-2-azetidinones E. R. SQUIBB & SONS, INC. (US) 1985-12-17 US claimed
US-4551277-A 4-(3-Acylamino-2-oxo-1-azetidinyl)-4-oxo-2-butenoic acid E. R. SQUIBB & SONS, INC. (US) 1985-11-05 US claimed
EP-1899333-A1 PYRAZOLOPYRIDINE DERIVATIVES AS INHIBITORS OF BETA-ADRENERGIC RECEPTOR KINASE 1 Sanofi-Aventis (FR) 2008-03-19 EP disclosed
WO-2007000241-A1 PYRAZOLOPYRIDINE DERIVATIVES AS INHIBITORS OF BETA-ADRENERGIC RECEPTOR KINASE 1 SANOFI-AVENTIS (DE) 2007-01-04 WO disclosed