SCHEMBL15775871

SCHEMBL15775871

CCOc1nc(-c2cccc(OC)c2)cc2c([N+](=O)[O-])cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
CASP3 P42574 2/20 0.45
RAB9A P51151 2/20 0.45
SENP7 Q9BQF6 1/20 0.45
FBP1 P09467 1/20 0.44
PIN1 Q13526 1/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
EIF4E P06730 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
ABCG2 Q9UNQ0 6/20 0.41
LMNA P02545 2/20 0.41
SQOR Q9Y6N5 1/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2B P29275 2/20 0.40

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
SCHEMBL15775590 0.90 NPC1 (0.49) NPC1CASP3RAB9ASENP7FBP1
SCHEMBL15775156 0.77 NR1I3 (0.48) PIN1MAPTEIF4EMEN1KMT2A
SCHEMBL15775231 0.75 SQOR (0.43) NPC1CASP3RAB9ASENP7MAPT
SCHEMBL15775417 0.75 LMNA (0.45) MAPTGAAEIF4ESMN1; SMN2KDM4E
SCHEMBL15776164 0.74 SQOR (0.47) MAPTGAAEIF4EABCG2LMNA
SCHEMBL15775280 0.74 ELANE (0.43) MAPTEIF4ESMN1; SMN2KDM4EMEN1
SCHEMBL15775543 0.71 LMNA (0.45) MAPTEIF4ESMN1; SMN2KDM4EMEN1
SCHEMBL15775312 0.71 SQOR (0.44) NPC1MAPTGAAEIF4EKDM4E
SCHEMBL15775322 0.70 TDP1 (0.41) PIN1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL15775364 0.69 ALDH1A1 (0.49) PIN1MAPTEIF4EABCG2SQOR

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