SCHEMBL15775417

SCHEMBL15775417

COc1nc(-c2cccc(C(F)(F)F)c2)cc2c([N+](=O)[O-])cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
EIF4E P06730 1/20 0.43
ABCG2 Q9UNQ0 4/20 0.42
POLB P06746 1/20 0.42
XDH P47989 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
F2RL3 Q96RI0 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
MAOA P21397 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SCN2A Q99250 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
SCHEMBL15775543 0.90 LMNA (0.45) LMNAMAPTNPSR1EIF4EPOLB
SCHEMBL15775590 0.84 NPC1 (0.49) LMNAMAPTEIF4EABCG2POLB
SCHEMBL15775156 0.83 NR1I3 (0.48) LMNAMAPTNPSR1EIF4EPOLB
SCHEMBL15776164 0.81 SQOR (0.47) LMNAMAPTNPSR1EIF4EABCG2
SCHEMBL15775546 0.80 XDH (0.47) NPSR1ABCG2XDHSMN1; SMN2KDM4E
SCHEMBL15775231 0.80 SQOR (0.43) MAPTEIF4EABCG2POLBXDH
SCHEMBL15775175 0.80 EIF4E (0.43) LMNAMAPTNPSR1EIF4EABCG2
SCHEMBL15775280 0.79 ELANE (0.43) LMNAMAPTNPSR1EIF4EABCG2
SCHEMBL15775312 0.76 SQOR (0.44) MAPTEIF4EABCG2POLBKDM4E
SCHEMBL15775322 0.75 TDP1 (0.41) LMNAMAPTPOLBSMN1; SMN2KDM4E

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