SCHEMBL26416903

SCHEMBL26416903

NC(=O)c1ccc(Oc2ccc(O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 15/20 1.00
PARP15 Q460N3 4/20 0.83
PARP14 Q460N5 2/20 0.83
KMT2A Q03164 2/20 0.83
PARP4 Q9UKK3 2/20 0.83
ALDH1A1 P00352 1/20 0.83
PARP16 Q8N5Y8 1/20 0.83
PARP11 Q9NR21 1/20 0.83
PARP3 Q9Y6F1 1/20 0.63
PARP2 Q9UGN5 3/20 0.61
TNKS O95271 1/20 0.61
TNKS2 Q9H2K2 1/20 0.61
MEN1 O00255 1/20 0.61
ESR1 P03372 1/20 0.61
ESR2 Q92731 1/20 0.61
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
PARP1 P09874 1/20 0.57
F2 P00734 1/20 0.55
PRSS1 P07477 1/20 0.55

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 0.91 PARP10 (1.00) PARP10PARP15PARP14KMT2APARP4
SCHEMBL162830 0.86 PARP10 (0.74) PARP10PARP15PARP14KMT2APARP4
SCHEMBL28823636 0.86 PARP10 (0.74) PARP10PARP15PARP14KMT2APARP4
Hydroquinone SCHEMBL8674228 0.86 PARP10 (0.74) PARP10PARP15PARP14KMT2APARP4
SCHEMBL28831945 0.84 PARP10 (0.71) PARP10PARP15PARP14KMT2APARP4
Methane SCHEMBL28048015 0.84 PARP10 (0.71) PARP10PARP15PARP14KMT2APARP4
Ammonia Solution, Strong SCHEMBL28805645 0.84 PARP10 (0.71) PARP10PARP15PARP14KMT2APARP4
Hydrochloric Acid SCHEMBL3139339 0.84 PARP10 (0.71) PARP10PARP15PARP14KMT2APARP4
Terephthalamide SCHEMBL4205368 0.83 PARP10 (1.00) PARP10PARP15PARP14KMT2APARP4
SCHEMBL606429 0.83 PARP10 (1.00) PARP10PARP15PARP14KMT2APARP4

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-3544972-B1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER (US) 2023-04-26 EP disclosed