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SCHEMBL29565263

SCHEMBL29565263

CC1(N=[N+]=[N-])C(=O)N(c2cncc(Cc3n[nH]c(=O)c4cc(F)ccc34)c2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 16/20 0.40
▸ PRMT5 O14744 3/20 0.33
▸ WDR77 Q9BQA1 3/20 0.33
▸ AR P10275 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL29565513 0.92 PARP1 (0.43) PARP1PRMT5WDR77ARCYP3A4
SCHEMBL29565697 0.86 PARP1 (0.54) PARP1
SCHEMBL29565479 0.86 PARP1 (0.45) PARP1PRMT5WDR77ARHDAC6
SCHEMBL25890280 0.86 PARP1 (0.43) PARP1PRMT5WDR77ARHDAC6
SCHEMBL25315024 0.86 PARP1 (0.43) PARP1PRMT5WDR77ARHDAC6
SCHEMBL24389991 0.86 PARP1 (0.45) PARP1PRMT5WDR77ARHDAC6
SCHEMBL29565707 0.86 PARP1 (0.43) PARP1PRMT5WDR77ARCYP3A4
SCHEMBL29565341 0.86 PARP1 (0.43) PARP1PRMT5WDR77ARHDAC6
SCHEMBL25312615 0.83 PARP1 (0.43) PARP1PRMT5WDR77AR
SCHEMBL30132743 0.83 PARP1 (0.43) PARP1PRMT5WDR77AR

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-2022090938-A1 PHTHALAZINONE DERIVATIVES USEFUL AS PARP INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-05-05 — — WO disclosed