SCHEMBL11279989

SCHEMBL11279989

Cc1ccccc1-c1nc2c([nH]c(=O)c3ccccc32)s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.44
TNKS2 Q9H2K2 5/20 0.42
TNKS O95271 4/20 0.42
PARP15 Q460N3 1/20 0.39
MAPK14 Q16539 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL11274910 0.81 PARP1 (0.49) PARP1TNKS2TNKSPARP15KDM4E
SCHEMBL11285870 0.80 PARP1 (0.45) PARP1TNKS2TNKSPARP15ALDH1A1
SCHEMBL11274767 0.79 MAPK1 (0.48) PARP1TNKS2TNKSPARP15KDM4E
SCHEMBL11288925 0.75 MAPK1 (0.44) PARP1TNKS2TNKSPARP15KDM4E
SCHEMBL1561103 0.73 PARP1 (0.45) PARP1TNKS2TNKSPARP15ALDH1A1
SCHEMBL11647198 0.72 TLR8 (0.47) PARP1TNKS2TNKSPARP15ALDH1A1
SCHEMBL1560390 0.70 PARP1 (0.41) PARP1TNKS2TNKSPARP15ALDH1A1
SCHEMBL7980353 0.69 PARP1 (0.54) PARP1TNKS2TNKSPARP15PIM1
SCHEMBL11281218 0.69 TLR8 (0.51) PARP1TNKS2TNKSPARP15ALDH1A1
Hydrochloric Acid SCHEMBL4320664 0.69 PARP1 (0.56) PARP1TNKS2TNKSPARP15PIM1

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
EP-0005745-B1 PYRAZOLO (3,4-C) AND THIAZOLO (5,4-C) ISOQUINOLINES, METHODS FOR PREPARING THEM, THESE COMPOUNDS FOR USE AS ANTIINFLAMMATORY, CNS-DEPRESSANT AND ANTI-ANXIETY AGENTS AND PHARMACEUTICAL COMPOSITIONS THEREOF GRUPPO LEPETIT S.P.A. (IT) 1982-07-14 EP disclosed
EP-0005745-A1 Pyrazolo (3,4-c) and thiazolo (5,4-c) isoquinolines, methods for preparing them, these compounds for use as antiinflammatory, CNS-depressant and anti-anxiety agents and pharmaceutical compositions thereof GRUPPO LEPETIT S.P.A. (IT) 1979-12-12 EP disclosed