SCHEMBL13639736

SCHEMBL13639736

NC(=O)c1cccc(-c2ccc(O)cc2O)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.61
▸ ALOX5 P09917 1/20 0.53
▸ ERN1 O75460 3/20 0.53
▸ BAZ2B Q9UIF8 1/20 0.48
▸ BAZ2A Q9UIF9 1/20 0.48
▸ PRKCI P41743 1/20 0.47
▸ TDP2 O95551 1/20 0.46
▸ FYN P06241 2/20 0.45
▸ PDK2 Q15119 1/20 0.45
▸ CNR2 P34972 1/20 0.44

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
SCHEMBL16400660 0.85 PARP1 (0.56) PARP1ERN1BAZ2BBAZ2APRKCI
SCHEMBL4171236 0.84 ALOX5 (0.60) ALOX5ERN1CNR2
SCHEMBL6068002 0.83 ALOX5 (0.53) ALOX5TDP2FYNCNR2
SCHEMBL17175985 0.82 PARP1 (0.56) PARP1ERN1BAZ2BBAZ2APRKCI
SCHEMBL1147444 0.82 PARP1 (0.77) PARP1ERN1FYN
SCHEMBL16400571 0.82 MKNK1 (0.58) PARP1ERN1BAZ2BBAZ2AFYN
SCHEMBL1788218 0.80 PARP1 (0.62) PARP1ERN1TDP2
SCHEMBL28150203 0.79 ERN1 (0.53) PARP1ERN1BAZ2BBAZ2APRKCI
SCHEMBL31422694 0.79 PARP1 (0.64) PARP1ERN1TDP2
SCHEMBL2431097 0.79 PARP1 (0.64) PARP1ERN1TDP2

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-1948146-B1 NOVEL MULTI-CYCLIC COMPOUNDS AND THEIR USE REVOTAR BIOPHARMACEUTICALS AG (DE) 2012-11-07 — — EP disclosed
WO-2007039111-A2 NOVEL MULTI-CYCLIC COMPOUNDS AND THEIR USE REVOTAR BIOPHARMACEUTICALS AG (DE) 2007-04-12 — — WO disclosed
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