SCHEMBL15775156

SCHEMBL15775156

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 1/20 0.48
POLB P06746 1/20 0.44
TXNRD1 Q16881 1/20 0.40
EIF4E P06730 1/20 0.40
CNR2 P34972 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
TACR3 P29371 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PIN1 Q13526 2/20 0.39
THRB P10828 1/20 0.39
SQOR Q9Y6N5 1/20 0.39
GFER P55789 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38
KDR P35968 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
SCHEMBL15775590 0.87 NPC1 (0.49) NR1I3POLBEIF4EMAPTPIN1
SCHEMBL15775322 0.83 TDP1 (0.41) POLBTDP1MAPTALDH1A1MEN1
SCHEMBL15775231 0.83 SQOR (0.43) POLBEIF4ETDP1MAPTALDH1A1
SCHEMBL15775417 0.83 LMNA (0.45) POLBEIF4EMAPTMEN1KMT2A
SCHEMBL15775280 0.82 ELANE (0.43) POLBEIF4ETDP1TACR3MAPT
SCHEMBL15776164 0.82 SQOR (0.47) POLBEIF4ETDP1MAPTALDH1A1
SCHEMBL15775580 0.81 ALDH1A1 (0.46) POLBEIF4ECNR2TDP1TACR3
SCHEMBL15775312 0.79 SQOR (0.44) POLBEIF4ETDP1MAPTALDH1A1
SCHEMBL15775543 0.79 LMNA (0.45) POLBEIF4ETDP1MAPTALDH1A1
SCHEMBL15775605 0.79 NR1I3 (0.53) NR1I3TACR3SQORPDGFRBKIT

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