SCHEMBL28313588

SCHEMBL28313588

NC(=O)c1cccc(Oc2ccc(C=O)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 11/20 0.73
PARP14 Q460N5 5/20 0.73
PARP15 Q460N3 3/20 0.73
TNKS O95271 1/20 0.73
TNKS2 Q9H2K2 1/20 0.73
PARP2 Q9UGN5 1/20 0.73
PARP3 Q9Y6F1 1/20 0.71
PARP1 P09874 1/20 0.54
AKR1C3 P42330 1/20 0.51
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PARP16 Q8N5Y8 1/20 0.50
PARP11 Q9NR21 1/20 0.50
PARP4 Q9UKK3 1/20 0.50
MEN1 O00255 1/20 0.47
F2 P00734 3/20 0.47
F10 P00742 2/20 0.47
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46

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
SCHEMBL758230 0.86 AKR1C3 (0.72) PARP10PARP14PARP15TNKSTNKS2
SCHEMBL8546200 0.85 PARP10 (0.77) PARP10PARP14PARP15TNKSTNKS2
SCHEMBL6631040 0.85 PARP10 (1.00) PARP10PARP14PARP15TNKSTNKS2
Formic Acid SCHEMBL30728616 0.84 PARP10 (0.73) PARP10PARP14PARP15TNKSTNKS2
SCHEMBL2531295 0.83 PARP10 (0.83) PARP10PARP14PARP15TNKSTNKS2
SCHEMBL30434552 0.83 PARP10 (0.83) PARP10PARP14PARP15TNKSTNKS2
SCHEMBL754740 0.83 PARP10 (1.00) PARP10PARP14PARP15TNKSTNKS2
SCHEMBL618677 0.82 PARP10 (0.81) PARP10PARP14PARP15TNKSTNKS2
SCHEMBL16880883 0.82 ALDH1A1 (0.58) PARP10PARP14PARP15TNKSTNKS2
Hydrochloric Acid SCHEMBL28772951 0.82 PARP10 (0.80) PARP10PARP14PARP15TNKSTNKS2

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
CN-110234638-A Heteroaryl phenoxy benzamide KAPPA opiates ligand 辉瑞大药厂 2019-09-13 CN disclosed