SCHEMBL30053662

SCHEMBL30053662

CCc1cc2ncc(CN3CCN(C4CCNCC4)CC3)cc2[nH]c1=O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.60
▸ PARP2 Q9UGN5 10/20 0.60
▸ PARP6 Q2NL67 2/20 0.56
▸ PARP3 Q9Y6F1 2/20 0.56
▸ TNKS O95271 1/20 0.56
▸ TIPARP Q7Z3E1 1/20 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
SCHEMBL27169460 1.00 PARP1 (0.60) PARP1PARP2PARP6PARP3TNKS
SCHEMBL27169477 0.88 PARP1 (0.65) PARP1PARP2PARP6PARP3TNKS
SCHEMBL29397527 0.88 PARP1 (0.65) PARP1PARP2PARP6PARP3TNKS
Hydrochloric Acid SCHEMBL30054423 0.88 PARP1 (0.58) PARP1PARP2PARP6PARP3TNKS
Hydrochloric Acid SCHEMBL27169429 0.88 PARP1 (0.58) PARP1PARP2PARP6PARP3TNKS
Hydrochloric Acid SCHEMBL31312822 0.87 PARP1 (0.64) PARP1PARP2PARP6PARP3TNKS
Hydrochloric Acid SCHEMBL27169435 0.87 PARP1 (0.64) PARP1PARP2PARP6PARP3TNKS
Hydrochloric Acid SCHEMBL30053682 0.87 PARP1 (0.64) PARP1PARP2PARP6PARP3TNKS
SCHEMBL27169515 0.83 PARP1 (0.55) PARP1PARP2PARP6PARP3TNKS
SCHEMBL30874292 0.83 PARP1 (0.67) PARP1PARP2PARP6PARP3TNKS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4334314-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS Nuvation Bio Inc. (US) 2024-03-13 — — EP disclosed
CN-117580839-A Anti-cancer nuclear hormone receptor targeting compounds 诺维逊生物股份有限公司 2024-02-20 — — CN disclosed
WO-2022235585-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS NUVATION BIO INC. (US) 2022-11-10 — — WO disclosed
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