SCHEMBL30546189

SCHEMBL30546189

COC(=O)c1cc(Cc2n[nH]c(=O)c3ccc(OC4CCC4)cc23)cc2c1OCC2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 15/20 0.46
▸ PRMT5 O14744 3/20 0.41
▸ WDR77 Q9BQA1 3/20 0.41
▸ PRAP1 Q96NZ9 1/20 0.39
▸ ROCK1 Q13464 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL26122244 1.00 PARP1 (0.46) PARP1PRMT5WDR77PRAP1ROCK1
SCHEMBL26120440 0.91 PARP1 (0.49) PARP1PRMT5WDR77PRAP1
SCHEMBL30546371 0.91 PARP1 (0.49) PARP1PRMT5WDR77PRAP1
SCHEMBL10039742 0.84 PARP1 (0.57) PARP1PRAP1CYP3A4CYP2C9TSHR
SCHEMBL30546280 0.81 PARP1 (0.57) PARP1PRAP1
SCHEMBL26124497 0.81 PARP1 (0.47) PARP1PRMT5WDR77PRAP1CYP3A4
SCHEMBL26123532 0.81 PARP1 (0.57) PARP1PRAP1
SCHEMBL26125985 0.80 PARP1 (0.51) PARP1PRMT5WDR77PRAP1
SCHEMBL30546130 0.78 PRMT5 (0.44) PARP1PRMT5WDR77PRAP1
SCHEMBL30546282 0.78 PRMT5 (0.44) PARP1PRMT5WDR77PRAP1

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-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 — — WO disclosed
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