SCHEMBL19005629

SCHEMBL19005629

O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2OC2CC2)C1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.77
TNKS O95271 1/20 0.67
PARP6 Q2NL67 1/20 0.67
PARP15 Q460N3 1/20 0.67
PARP14 Q460N5 1/20 0.67
PARP10 Q53GL7 1/20 0.67
TIPARP Q7Z3E1 1/20 0.67
PARP12 Q9H0J9 1/20 0.67
TNKS2 Q9H2K2 1/20 0.67
PARP11 Q9NR21 1/20 0.67
PARP4 Q9UKK3 1/20 0.67
PARP3 Q9Y6F1 1/20 0.67
PRAP1 Q96NZ9 1/20 0.65

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
SCHEMBL19005811 0.90 PARP1 (0.76) PARP1TNKSPARP6PARP15PARP14
SCHEMBL19005254 0.87 PARP1 (0.80) PARP1TNKSPARP6PARP15PARP14
SCHEMBL19005691 0.86 PARP1 (0.79) PARP1TNKSPARP6PARP15PARP14
SCHEMBL30888478 0.86 PARP1 (0.79) PARP1TNKSPARP6PARP15PARP14
SCHEMBL19005693 0.86 PARP1 (0.79) PARP1TNKSPARP6PARP15PARP14
SCHEMBL19005257 0.85 PARP1 (0.78) PARP1TNKSPARP6PARP15PARP14
SCHEMBL26121871 0.85 PARP1 (0.62) PARP1TNKSPARP6PARP15PARP14
SCHEMBL30546323 0.85 PARP1 (0.62) PARP1TNKSPARP6PARP15PARP14
SCHEMBL10025634 0.84 PARP1 (0.77) PARP1TNKSPARP6PARP15PARP14
SCHEMBL30888475 0.84 PARP1 (1.00) PARP1TNKSTNKS2PARP3

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-2017101796-A1 PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2017-06-22 WO disclosed