SCHEMBL26310976

SCHEMBL26310976

CC[C@H]1Oc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2NC1=O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.62
PARP2 Q9UGN5 8/20 0.59
KCNH2 Q12809 3/20 0.59
PARP3 Q9Y6F1 6/20 0.58
PARP6 Q2NL67 4/20 0.58
TIPARP Q7Z3E1 1/20 0.56
TNKS O95271 2/20 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
SCHEMBL26314230 1.00 PARP1 (0.62) PARP1PARP2KCNH2PARP3PARP6
SCHEMBL26309532 1.00 PARP1 (0.62) PARP1PARP2KCNH2PARP3PARP6
SCHEMBL26313404 0.94 PARP1 (0.60) PARP1PARP2KCNH2PARP3PARP6
SCHEMBL26313408 0.94 PARP1 (0.60) PARP1PARP2KCNH2PARP3PARP6
SCHEMBL26309070 0.94 PARP1 (0.60) PARP1PARP2KCNH2PARP3PARP6
SCHEMBL26313542 0.92 PARP1 (0.60) PARP1PARP2KCNH2PARP3PARP6
SCHEMBL26313553 0.92 PARP1 (0.60) PARP1PARP2KCNH2PARP3PARP6
SCHEMBL26309087 0.92 PARP1 (0.60) PARP1PARP2KCNH2PARP3PARP6
SCHEMBL26313555 0.92 PARP1 (0.60) PARP1PARP2KCNH2PARP3PARP6
SCHEMBL26313537 0.92 PARP1 (0.60) PARP1PARP2KCNH2PARP3PARP6

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-2023178035-A1 MULTICYCLIC COMPOUNDS SLAP PHARMACEUTICALS LLC (US) 2023-09-21 WO disclosed