SCHEMBL15775322

SCHEMBL15775322

COc1nc(-c2c(Cl)cccc2Cl)cc2c([N+](=O)[O-])cccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 5/20 0.41
PIN1 Q13526 3/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 2/20 0.37
MERTK Q12866 1/20 0.37
HSP90AB1 P08238 1/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 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
SCHEMBL15775580 0.88 ALDH1A1 (0.46) TDP1ALDH1A1PIN1POLBKDM4E
SCHEMBL15775156 0.83 NR1I3 (0.48) TDP1ALDH1A1PIN1POLBMEN1
SCHEMBL15775280 0.79 ELANE (0.43) TDP1ALDH1A1POLBKDM4EMEN1
SCHEMBL15775364 0.79 ALDH1A1 (0.49) TDP1ALDH1A1PIN1POLBHSP90AA1
SCHEMBL15776164 0.79 SQOR (0.47) TDP1ALDH1A1POLBLMNAMAPT
SCHEMBL15775590 0.79 NPC1 (0.49) PIN1POLBKDM4ESMN1; SMN2LMNA
SCHEMBL15775195 0.78 HSP90AA1 (0.47) ALDH1A1HSP90AA1HSP90AB1
SCHEMBL15775106 0.78 TDP1 (0.47) TDP1ALDH1A1PIN1POLBKDM4E
SCHEMBL15775312 0.76 SQOR (0.44) TDP1ALDH1A1POLBKDM4EMEN1
SCHEMBL15775543 0.76 LMNA (0.45) TDP1ALDH1A1POLBKDM4EMEN1

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