SCHEMBL26314240

SCHEMBL26314240

CC[C@H]1Oc2ccc(CN3CCN(c4cnc(C(=O)NC)nc4)CC3)cc2NC1=O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.61
PARP2 Q9UGN5 6/20 0.58
KCNH2 Q12809 2/20 0.47
PARP6 Q2NL67 3/20 0.46
PARP3 Q9Y6F1 3/20 0.46
TIPARP Q7Z3E1 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL26309539 1.00 PARP1 (0.61) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL26314248 1.00 PARP1 (0.61) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL26314230 0.90 PARP1 (0.62) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL26310976 0.90 PARP1 (0.62) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL26309532 0.90 PARP1 (0.62) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL26313750 0.87 PARP1 (0.49) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL26309198 0.87 PARP1 (0.49) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL26309550 0.87 PARP1 (0.80) PARP1PARP2KCNH2
SCHEMBL26314394 0.87 PARP1 (0.80) PARP1PARP2KCNH2
SCHEMBL26314393 0.87 PARP1 (0.80) PARP1PARP2KCNH2

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