SCHEMBL15775280

SCHEMBL15775280

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GUSB P08236 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TACR3 P29371 1/20 0.38
ERN1 O75460 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
EIF4E P06730 1/20 0.37

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
SCHEMBL15776164 0.88 SQOR (0.47) POLBTDP1ALDH1A1MAPTLMNA
SCHEMBL15775312 0.85 SQOR (0.44) POLBTDP1ALDH1A1MAPTKDM4E
SCHEMBL15775543 0.85 LMNA (0.45) POLBTDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL15775590 0.83 NPC1 (0.49) POLBMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL15775156 0.82 NR1I3 (0.48) POLBTDP1ALDH1A1MAPTLMNA
SCHEMBL15775417 0.79 LMNA (0.45) POLBMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL15775231 0.79 SQOR (0.43) POLBTDP1ALDH1A1MAPTMEN1
SCHEMBL15775322 0.79 TDP1 (0.41) POLBTDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL15775389 0.78 ESR1 (0.45) POLBESR1ESR2ALDH1A1MAPT
SCHEMBL15775364 0.78 ALDH1A1 (0.49) POLBTDP1ALDH1A1MAPTABCG2

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