SCHEMBL15775312

SCHEMBL15775312

COc1nc(-c2ccc(C#N)cc2)cc2c([N+](=O)[O-])cccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 8/20 0.44
ACP1 P24666 3/20 0.41
EIF4E P06730 1/20 0.41
POLB P06746 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
SYK P43405 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL15775231 0.90 SQOR (0.43) SQORACP1EIF4EPOLBABCG2
SCHEMBL15776164 0.85 SQOR (0.47) SQORACP1EIF4EPOLBABCG2
SCHEMBL15775280 0.85 ELANE (0.43) EIF4EPOLBABCG2ALDH1A1MEN1
SCHEMBL15775543 0.82 LMNA (0.45) ACP1EIF4EPOLBALDH1A1MEN1
SCHEMBL15775590 0.80 NPC1 (0.49) SQOREIF4EPOLBABCG2KDM4E
SCHEMBL15775763 0.80 SQOR (0.49) SQORACP1ALDH1A1MEN1KMT2A
SCHEMBL15775156 0.79 NR1I3 (0.48) SQOREIF4EPOLBALDH1A1MEN1
SCHEMBL13443755 0.76 SQOR (0.57) SQORACP1ABCG2ALDH1A1MEN1
SCHEMBL15775417 0.76 LMNA (0.45) EIF4EPOLBABCG2MEN1KMT2A
SCHEMBL15775322 0.76 TDP1 (0.41) POLBALDH1A1MEN1KMT2AKDM4E

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