SCHEMBL15775466

SCHEMBL15775466

CCc1cccc2c(=O)[nH]c(-c3ccccc3)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.63
TNKS O95271 10/20 0.49
TNKS2 Q9H2K2 2/20 0.49
KDM4E B2RXH2 2/20 0.45
CTSV O60911 2/20 0.45
CTSL P07711 2/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
TUBB4A P04350 1/20 0.45
TP53 P04637 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL15775348 0.83 TNKS (0.68) PARP1TNKSTNKS2
SCHEMBL31014299 0.81 PARP1 (0.67) PARP1TNKSTNKS2KDM4EHPGD
SCHEMBL15775395 0.81 PARP1 (0.67) PARP1TNKSTNKS2KDM4EHPGD
SCHEMBL15775297 0.78 PARP1 (0.67) PARP1TNKSTNKS2KDM4ECTSV
SCHEMBL15775666 0.78 PARP1 (1.00) PARP1TNKSTNKS2KDM4ECTSV
SCHEMBL15775399 0.77 TNKS (0.63) PARP1TNKS
SCHEMBL9447439 0.77 TNKS (0.79) PARP1TNKSTNKS2HPGDALDH1A1
SCHEMBL16625151 0.76 TNKS (0.78) PARP1TNKS
SCHEMBL17859651 0.73 KDM4E (0.53) PARP1TNKS2KDM4EHPGDTP53
SCHEMBL29639160 0.73 TNKS (0.63) PARP1TNKSTNKS2KDM4ECTSV

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