SCHEMBL15775386

SCHEMBL15775386

Cc1cccc2c(=O)[nH]c(-c3ccccc3)c(C)c12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.51
PARP1 P09874 7/20 0.50
TNKS2 Q9H2K2 5/20 0.50
TNKS O95271 4/20 0.50
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
RPA1 P27694 1/20 0.40
MCL1 Q07820 1/20 0.40
PLA2G10 O15496 1/20 0.40
GAA P10253 1/20 0.40
CHEK1 O14757 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL853264 0.84 SERPINE1 (0.66) SERPINE1PARP1TNKS2TNKSKDM4E
SCHEMBL15775856 0.81 SERPINE1 (0.65) SERPINE1PARP1TNKS2TNKSKDM4E
SCHEMBL29031824 0.79 ESR1 (0.50) SERPINE1PARP1TNKS2TNKSKDM4E
SCHEMBL853536 0.76 PARP1 (0.50) SERPINE1PARP1TNKS2TNKS
Hydrochloric Acid SCHEMBL854662 0.75 PARP1 (0.49) SERPINE1PARP1TNKS2TNKS
SCHEMBL31014299 0.72 PARP1 (0.67) PARP1TNKS2TNKSKDM4EHPGD
SCHEMBL15775395 0.72 PARP1 (0.67) PARP1TNKS2TNKSKDM4EHPGD
SCHEMBL854581 0.68 SERPINE1 (1.00) SERPINE1PARP1TNKS2TNKSKDM4E
SCHEMBL29031883 0.68 SERPINE1 (0.67) SERPINE1PARP1TNKS2TNKSKDM4E
SCHEMBL29639174 0.68 SERPINE1 (0.67) SERPINE1PARP1TNKS2TNKSKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO claimed
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed