SCHEMBL13265656

SCHEMBL13265656

C=C(C)Oc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.62
AR P10275 5/20 0.62
LMNA P02545 1/20 0.60
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
ENPP1 P22413 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL581787 0.83 AR (0.70) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL12955544 0.78 AR (0.77) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL12955526 0.78 AR (0.77) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL863462 0.78 AR (1.00) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL12955553 0.76 PARP1 (0.76) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL24000626 0.76 PARP1 (0.72) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL12955341 0.76 AR (0.77) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL1789242 0.76 LMNA (1.00) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL8154178 0.76 AR (0.77) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL7122967 0.76 AR (0.77) PARP1ARLMNACYP3A4CYP2C9

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
US-7750006-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2010-07-06 US disclosed