SCHEMBL15775231

SCHEMBL15775231

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 6/20 0.43
EIF4E P06730 1/20 0.43
POLB P06746 1/20 0.42
XDH P47989 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
PTGDR Q13258 1/20 0.38
BRAF P15056 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACP1 P24666 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL15775312 0.90 SQOR (0.44) SQOREIF4EPOLBABCG2MEN1
SCHEMBL15775590 0.84 NPC1 (0.49) SQOREIF4EPOLBABCG2MAPT
SCHEMBL15775156 0.83 NR1I3 (0.48) SQOREIF4EPOLBMEN1KMT2A
SCHEMBL15775442 0.80 SQOR (0.48) SQORXDHCTSSCTSKPTGDR
SCHEMBL15775417 0.80 LMNA (0.45) EIF4EPOLBXDHABCG2MEN1
SCHEMBL15775280 0.79 ELANE (0.43) EIF4EPOLBABCG2MEN1KMT2A
SCHEMBL15776164 0.79 SQOR (0.47) SQOREIF4EPOLBABCG2ACP1
SCHEMBL15775543 0.76 LMNA (0.45) EIF4EPOLBMEN1KMT2AACP1
SCHEMBL15775322 0.75 TDP1 (0.41) POLBMEN1KMT2ATDP1ALDH1A1
SCHEMBL15775871 0.75 NPC1 (0.45) SQOREIF4EABCG2MEN1KMT2A

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