SCHEMBL29923429

SCHEMBL29923429

O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1)NCCCl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.69
▸ PARP2 Q9UGN5 4/20 0.68
▸ HDAC1 Q13547 2/20 0.65
▸ HDAC6 Q9UBN7 2/20 0.65
▸ TNKS O95271 1/20 0.63
▸ ADORA1 P30542 1/20 0.63
▸ CDK6 Q00534 1/20 0.63
▸ PDE3A Q14432 1/20 0.63
▸ PARP6 Q2NL67 1/20 0.63
▸ PARP15 Q460N3 1/20 0.63
▸ PARP14 Q460N5 1/20 0.63
▸ PARP10 Q53GL7 1/20 0.63
▸ TIPARP Q7Z3E1 1/20 0.63
▸ PARP8 Q8N3A8 1/20 0.63
▸ PARP16 Q8N5Y8 1/20 0.63
▸ PARP12 Q9H0J9 1/20 0.63
▸ TNKS2 Q9H2K2 1/20 0.63
▸ PARP11 Q9NR21 1/20 0.63
▸ PARP4 Q9UKK3 1/20 0.63
▸ PARP3 Q9Y6F1 1/20 0.63

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
SCHEMBL29923028 1.00 PARP1 (0.69) PARP1PARP2HDAC1HDAC6TNKS
SCHEMBL24625002 1.00 PARP1 (0.69) PARP1PARP2HDAC1HDAC6TNKS
SCHEMBL9887621 0.91 PARP1 (0.71) PARP1PARP2HDAC1HDAC6TNKS
SCHEMBL18874527 0.89 PARP1 (0.71) PARP1PARP2HDAC1HDAC6TNKS
SCHEMBL23113221 0.89 PARP1 (0.75) PARP1PARP2TNKSADORA1CDK6
SCHEMBL24529039 0.88 PARP1 (0.77) PARP1PARP2TNKSADORA1CDK6
SCHEMBL29923010 0.88 PARP1 (0.76) PARP1PARP2TNKSADORA1CDK6
SCHEMBL29922994 0.88 PARP1 (0.76) PARP1PARP2TNKSADORA1CDK6
SCHEMBL22656867 0.87 PARP1 (0.75) PARP1PARP2TNKSADORA1CDK6
SCHEMBL29535734 0.87 PARP1 (0.75) PARP1PARP2TNKSADORA1CDK6

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-2022148822-A1 USP5 BINDING SURVIVAL-TARGETING CHIMERIC (SURTAC) MOLECULES & USES THEREOF LOCKI THERAPEUTICS LIMITED (GB) 2022-07-14 — — WO disclosed
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