SCHEMBL15775248

SCHEMBL15775248

COc1nc(-c2ccc(C(F)(F)F)cc2)cc2c(N)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
ACP1 P24666 3/20 0.46
KDM4E B2RXH2 2/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
SQOR Q9Y6N5 4/20 0.41
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
ACHE P22303 1/20 0.40
TOP1 P11387 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
MAT2A P31153 1/20 0.38

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
SCHEMBL15775546 0.89 XDH (0.47) KDM4EIDO1SQORNPSR1HPGD
SCHEMBL15775748 0.87 SQOR (0.53) PARP1ACP1KDM4EIDO1TDO2
SCHEMBL15775389 0.83 ESR1 (0.45) PARP1KDM4ESQORNPC1HPGD
SCHEMBL15169766 0.82 PARP1 (0.52) PARP1ACP1KDM4EACHETOP1
SCHEMBL15775543 0.80 LMNA (0.45) ACP1KDM4EIDO1TDO2TNKS
SCHEMBL15775763 0.80 SQOR (0.49) ACP1KDM4ESQORNPC1MAPT
SCHEMBL15775490 0.79 ACP1 (0.46) ACP1KDM4ESQORACHETDP1
SCHEMBL15775799 0.77 SQOR (0.54) KDM4ESQORTOP1HPGDSMN1; SMN2
SCHEMBL15775605 0.76 NR1I3 (0.53) SQOR
SCHEMBL15775442 0.73 SQOR (0.48) ACP1IDO1SQOR

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