SCHEMBL15775490

SCHEMBL15775490

COc1nc(-c2ccccc2C(F)(F)F)cc2c(N)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.46
PTPN1 P18031 2/20 0.40
F2RL3 Q96RI0 1/20 0.40
HSD11B1 P28845 2/20 0.39
CYP1A2 P05177 4/20 0.39
CYP2C19 P33261 4/20 0.39
CYP2D6 P10635 2/20 0.39
RECQL P46063 1/20 0.39
SQOR Q9Y6N5 1/20 0.39
CTSK P43235 1/20 0.39
TRPA1 O75762 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
CYP3A4 P08684 3/20 0.38
USP2 O75604 2/20 0.38
CLK4 Q9HAZ1 1/20 0.38
USP1 O94782 1/20 0.38
WDR48 Q8TAF3 1/20 0.38
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL15775105 0.82 SQOR (0.53) PTPN1CYP1A2CYP2C19CYP2D6SQOR
SCHEMBL15775484 0.81 L3MBTL1 (0.48) CYP1A2CYP2C19SQORTRPM8CYP3A4
SCHEMBL15775449 0.81 L3MBTL1 (0.48) CYP1A2CYP2C19SQORTRPM8CYP3A4
SCHEMBL15775175 0.80 EIF4E (0.43) ACP1F2RL3HSD11B1CTSKTDP1
SCHEMBL15775248 0.79 PARP1 (0.47) ACP1SQORKDM4ETDP1ACHE
SCHEMBL15775546 0.78 XDH (0.47) F2RL3SQORCTSKTSHRKDM4E
SCHEMBL15775748 0.75 SQOR (0.53) ACP1SQORKDM4EHSD17B10
SCHEMBL2442608 0.75 CRHR1 (0.43) ACP1PTPN1F2RL3CYP1A2CYP2C19
SCHEMBL6220344 0.73 ACP1 (0.40) ACP1PTPN1CYP1A2CYP2C19CYP2D6
SCHEMBL15775195 0.72 HSP90AA1 (0.47) PTPN1CYP1A2CYP2C19CLK4

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