SCHEMBL10923036

SCHEMBL10923036

Cc1ccccc1-c1cccc2c1CCN2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.53
PARP11 Q9NR21 3/20 0.53
PARP1 P09874 3/20 0.53
NISCH Q9Y2I1 1/20 0.42
HTR7 P34969 2/20 0.42
BRD4 O60885 1/20 0.42
KDM1A O60341 2/20 0.41
NUDT1 P36639 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CD274 Q9NZQ7 1/20 0.38
NOTUM Q6P988 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38

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
SCHEMBL20539302 0.87 NOTUM (0.47) PARP10PARP11PARP1BRD4KDM1A
SCHEMBL30916119 0.87 NOTUM (0.47) PARP10PARP11PARP1BRD4KDM1A
SCHEMBL1031349 0.83 PARP1 (0.56) PARP10PARP11PARP1BRD4KDM1A
Hydrochloric Acid SCHEMBL2260204 0.81 PARP1 (0.55) PARP10PARP11PARP1BRD4KDM1A
SCHEMBL15311783 0.79 NISCH (0.42) PARP10PARP11PARP1NISCHHTR7
SCHEMBL10921066 0.79 NOTUM (0.50) PARP10PARP11PARP1HTR7BCHE
SCHEMBL24600039 0.78 PARP10 (0.41) PARP10PARP11PARP1BRD4KDM1A
SCHEMBL10201715 0.78 PARP1 (0.41) PARP10PARP11PARP1BRD4BCHE
SCHEMBL15312032 0.78 HTR7 (0.46) HTR7BRD4
SCHEMBL4718535 0.78 PARP10 (0.64) PARP10PARP11PARP1NISCHBCHE

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-0089426-B1 2-AMINO-6-BIPHENYLACETIC ACIDS A.H. ROBINS COMPANY, INCORPORATED (US) 1986-06-11 EP disclosed