SCHEMBL26314384

SCHEMBL26314384

CC[C@H]1Oc2ccc(CN3CCN(c4cnc(C(=O)NC)cn4)CC3)cc2NC1=O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.59
PARP2 Q9UGN5 7/20 0.59
KCNH2 Q12809 2/20 0.46
PARP6 Q2NL67 3/20 0.45
PARP3 Q9Y6F1 3/20 0.45
TIPARP Q7Z3E1 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL26309545 1.00 PARP1 (0.59) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL26314387 1.00 PARP1 (0.59) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL26314238 0.89 PARP1 (0.62) PARP1PARP2KCNH2KDM4E
SCHEMBL26314235 0.89 PARP1 (0.62) PARP1PARP2KCNH2KDM4E
SCHEMBL26314230 0.89 PARP1 (0.62) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL26310976 0.89 PARP1 (0.62) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL26309532 0.89 PARP1 (0.62) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL26309537 0.89 PARP1 (0.62) PARP1PARP2KCNH2KDM4E
SCHEMBL26314392 0.88 PARP1 (0.59) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL26314389 0.88 PARP1 (0.59) PARP1PARP2KCNH2PARP6PARP3

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