SCHEMBL12955545

SCHEMBL12955545

O=c1[nH]nc(Cc2cccc(Oc3ccccc3)c2)c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 17/20 0.70
▸ AR P10275 1/20 0.69
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ LMNA P02545 1/20 0.56

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
SCHEMBL863462 0.83 AR (1.00) PARP1ARCYP3A4CYP2C9TSHR
SCHEMBL1028195 0.80 PARP1 (0.72) PARP1ARCYP3A4CYP2C9TSHR
SCHEMBL12798188 0.80 PARP1 (0.70) PARP1ARCYP3A4CYP2C9TSHR
SCHEMBL12955388 0.80 LMNA (0.72) PARP1ARCYP3A4CYP2C9TSHR
SCHEMBL29655200 0.80 PARP1 (0.70) PARP1ARCYP3A4CYP2C9TSHR
SCHEMBL3387433 0.80 PARP1 (0.70) PARP1ARCYP3A4CYP2C9TSHR
SCHEMBL12955362 0.80 PARP1 (0.70) PARP1ARCYP3A4CYP2C9TSHR
SCHEMBL4573019 0.80 PARP1 (0.70) PARP1ARCYP3A4CYP2C9TSHR
SCHEMBL77913 0.79 PARP1 (0.73) PARP1AR
SCHEMBL30416453 0.79 PARP1 (0.73) PARP1AR

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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