SCHEMBL12955563

SCHEMBL12955563

O=c1[nH]nc(Cc2cccc(C(F)(F)F)c2)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 10/20 0.65
▸ AR P10275 3/20 0.65
▸ MAPT P10636 2/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ ENPP1 P22413 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55

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
SCHEMBL16187915 0.87 PARP1 (0.65) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL12955362 0.82 PARP1 (0.70) PARP1ARENPP1LMNACYP3A4
SCHEMBL863462 0.80 AR (1.00) PARP1ARENPP1LMNACYP3A4
SCHEMBL12955388 0.80 LMNA (0.72) PARP1ARSMN1; SMN2LMNACYP3A4
SCHEMBL29655200 0.80 PARP1 (0.70) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL1028195 0.80 PARP1 (0.72) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL4573019 0.80 PARP1 (0.70) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL12798188 0.80 PARP1 (0.70) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL3387433 0.80 PARP1 (0.70) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL26907276 0.80 PARP1 (0.58) PARP1ARENPP1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330442-B1 PHTHALAZINONE DERIVATIVES KUDOS PHARM LTD (GB) 2011-01-19 — — EP disclosed
US-7750006-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2010-07-06 — — US disclosed
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