SCHEMBL8499259

SCHEMBL8499259

O=C1Cc2c1cccc2[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.66
RECQL P46063 1/20 0.66
KMT2A Q03164 1/20 0.66
MCL1 Q07820 1/20 0.66
RXFP1 Q9HBX9 1/20 0.66
S100A4 P26447 2/20 0.53
PTPRC P08575 1/20 0.49
TDP1 Q9NUW8 3/20 0.47
ALDH1A1 P00352 3/20 0.46
GPR35 Q9HC97 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
TSHR P16473 3/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL35211484 0.85 MAPT (0.56) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL166701 0.85 MAPT (0.56) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL4573599 0.81 MAPT (0.53) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL768880 0.81 MAPT (0.53) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL8062158 0.79 MAPT (1.00) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL30317814 0.79 MAPT (1.00) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL7248426 0.79 MAPT (0.50) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL16701465 0.79 MAPT (0.50) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL7253467 0.79 MAPT (0.50) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL1306345 0.78 MAPT (0.49) MAPTRECQLKMT2AMCL1RXFP1

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
US-5869693-A Benzocyclobutenones and polymers derived therefrom CARLETON UNIVERSITY (CA) 1999-02-09 US disclosed