SCHEMBL6584943

SCHEMBL6584943

C=C[CH]c1cccc(C(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.50
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
UNG P13051 1/20 0.43
PARP10 Q53GL7 6/20 0.42
PARP15 Q460N3 4/20 0.42
PARP14 Q460N5 4/20 0.42
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
ERN1 O75460 1/20 0.41

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
SCHEMBL30005591 0.85 PARP1 (0.53) PARP1TSHRPOLBCYP3A4MAPT
SCHEMBL2987177 0.85 PARP1 (0.53) PARP1TSHRPOLBCYP3A4MAPT
SCHEMBL29958104 0.79 UNG (0.68) PARP1TSHRPOLBCYP3A4MAPT
SCHEMBL723945 0.79 UNG (0.68) PARP1TSHRPOLBCYP3A4MAPT
SCHEMBL16950860 0.79 PARP1 (0.55) PARP1TSHRPOLBCYP3A4MAPT
SCHEMBL28195808 0.78 PARP1 (0.50) PARP1TSHRPOLBCYP3A4MAPT
SCHEMBL18890217 0.77 PARP1 (0.57) PARP1TSHRPOLBCYP3A4MAPT
Propene SCHEMBL8382425 0.76 PARP1 (0.61) PARP1TSHRPOLBCYP3A4MAPT
SCHEMBL28179497 0.76 TTR (0.59) PARP1TSHRPOLBCYP3A4MAPT
SCHEMBL31021028 0.75 PARP1 (0.73) PARP1TSHRPOLBCYP3A4MAPT

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-1390354-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS Amgen Inc. (US) 2004-02-25 EP disclosed
WO-2002083653-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS AMGEN INC. (US) 2002-10-24 WO disclosed