SCHEMBL15067397

SCHEMBL15067397

CC1(C)CCc2[nH]c3cccc(C(=O)O)c3c(=O)c2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.42
PBRM1 Q86U86 2/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
TNKS2 Q9H2K2 3/20 0.37
PARP2 Q9UGN5 2/20 0.36
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SPR P35270 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL15084471 0.87 HDAC11 (0.39) PARP1HDAC11TNKS2PARP2KDM4E
SCHEMBL17715018 0.82 PARP1 (0.50) PARP1PBRM1GFERSMN1; SMN2KDM4E
SCHEMBL15069471 0.79 GFER (0.52) PARP1PBRM1GFERSMN1; SMN2TNKS2
SCHEMBL18687016 0.76 PARP1 (0.39) PARP1TNKS2PARP2HSD17B10
SCHEMBL2485381 0.72 GFER (0.60) PARP1PBRM1GFERSMN1; SMN2TNKS2
SCHEMBL17715014 0.69 KDM4E (0.43) PARP1KDM4EALDH1A1
SCHEMBL31510880 0.68 HTR2A (0.51) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL31510878 0.68 HTR2A (0.51) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL4026240 0.68 KMT2A (0.58) PARP1SMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL15067435 0.68 KDM4E (0.52) GFERSMN1; SMN2KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797919-B1 FUSED TETRA OR PENTA-CYCLIC PYRIDOPHTHALAZINONES AS PARP INHIBITORS BEIGENE LTD (KY) 2017-03-29 EP disclosed
US-9328111-B2 Substituted cycloocta[5,6]pyrido[4,3,2-de]phthalazines as PARP inhibitors BEIGENE LTD. (KY) 2016-05-03 US disclosed
EP-2797919-A1 FUSED TETRA OR PENTA-CYCLIC PYRIDOPHTHALAZINONES AS PARP INHIBITORS BeiGene, Ltd. (KY) 2014-11-05 EP disclosed
WO-2013097226-A1 FUSED TETRA OR PENTA-CYCLIC PYRIDOPHTHALAZINONES AS PARP INHIBITORS BEIGENE, LTD. (KY) 2013-07-04 WO disclosed