SCHEMBL689917

SCHEMBL689917

COC(CNc1cccc(C(N)=O)c1)C(=O)C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.58
PARP10 Q53GL7 8/20 0.58
PARP14 Q460N5 5/20 0.47
PARP15 Q460N3 4/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GRK2 P25098 1/20 0.41
GRK5 P34947 1/20 0.41
GRK3 P35626 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CSF1R P07333 1/20 0.39
FLT1 P17948 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL8689328 0.76 MEN1 (0.51) PARP1PARP10PARP14PARP15MEN1
SCHEMBL21555689 0.74 PARP1 (0.48) PARP1PARP10PARP14PARP15MEN1
SCHEMBL11283115 0.73 PARP1 (0.52) PARP1PARP10PARP14PARP15MEN1
SCHEMBL5534554 0.72 NPSR1 (0.76) PARP1PARP10PARP14PARP15MEN1
SCHEMBL29528287 0.72 NPSR1 (0.76) PARP1PARP10PARP14PARP15MEN1
SCHEMBL8294937 0.72 MEN1 (0.57) PARP1PARP10PARP14PARP15MEN1
SCHEMBL9448456 0.72 PARP1 (0.51) PARP1PARP10PARP14PARP15MEN1
SCHEMBL4485291 0.71 PARP14 (0.47) PARP1PARP10PARP14PARP15MEN1
Hydrochloric Acid SCHEMBL27681406 0.71 MEN1 (0.56) PARP1PARP10PARP14PARP15MEN1
Hydrochloric Acid SCHEMBL27700569 0.71 MEN1 (0.56) PARP1PARP10PARP14PARP15MEN1

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
EP-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP claimed