SCHEMBL11498069

SCHEMBL11498069

NC(=O)c1ccc(Oc2ccccc2Oc2ccc(C(N)=O)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 16/20 0.77
PARP15 Q460N3 4/20 0.72
PARP14 Q460N5 2/20 0.72
PARP4 Q9UKK3 2/20 0.72
ALDH1A1 P00352 2/20 0.72
KMT2A Q03164 1/20 0.72
PARP16 Q8N5Y8 1/20 0.72
PARP11 Q9NR21 1/20 0.72
PARP2 Q9UGN5 3/20 0.59
TNKS O95271 1/20 0.59
TNKS2 Q9H2K2 1/20 0.59
CTNNB1 P35222 1/20 0.58
PARP3 Q9Y6F1 1/20 0.56
PARP1 P09874 2/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL23463916 0.93 ALDH1A1 (0.68) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL25142213 0.91 PARP10 (0.66) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL6630817 0.89 PARP10 (0.68) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL4630373 0.88 PARP10 (0.62) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL15924500 0.87 PARP10 (0.66) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL30289632 0.87 PARP10 (1.00) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL3022362 0.87 PARP10 (1.00) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL27480252 0.87 PARP10 (0.66) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL11602631 0.87 PARP10 (0.66) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL606429 0.85 PARP10 (1.00) 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
US-4229566-A FLEXIBLE STRONG FILMS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1980-10-21 US disclosed