SCHEMBL3256253

SCHEMBL3256253

NC(=O)c1ccc(Oc2cc[nH]c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 16/20 0.68
PARP15 Q460N3 4/20 0.68
PARP14 Q460N5 2/20 0.68
PARP4 Q9UKK3 2/20 0.68
ALDH1A1 P00352 1/20 0.68
KMT2A Q03164 1/20 0.68
PARP16 Q8N5Y8 1/20 0.68
PARP11 Q9NR21 1/20 0.68
PARP3 Q9Y6F1 1/20 0.54
PARP2 Q9UGN5 3/20 0.53
TNKS O95271 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
PARP1 P09874 1/20 0.48
F2 P00734 2/20 0.47
ST14 Q9Y5Y6 2/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47

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
SCHEMBL3137816 0.82 PARP10 (1.00) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL17394554 0.76 TSHR (0.33) ALDH1A1KMT2A
SCHEMBL3256252 0.75 ALDH1A1 (0.61) PARP10ALDH1A1KMT2AMAPTHPGD
SCHEMBL6631245 0.75 PARP10 (1.00) PARP10PARP15PARP14PARP4ALDH1A1
Terephthalamide SCHEMBL4205368 0.75 PARP10 (1.00) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL606429 0.75 PARP10 (1.00) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL26416903 0.75 PARP10 (1.00) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL24592196 0.73 PARP10 (0.79) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL3013339 0.73 PARP10 (0.79) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL6630663 0.73 PARP10 (0.79) PARP10PARP15PARP14PARP4ALDH1A1

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
WO-2010065310-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-06-10 WO disclosed