SCHEMBL9305424

SCHEMBL9305424

Nc1ccc2c(c1N)C(=O)c1cccc([N+](=O)[O-])c1C2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.62
MAOA P21397 2/20 0.60
MAOB P27338 1/20 0.60
PTPRC P08575 1/20 0.57
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
CA1 P00915 2/20 0.49
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
CSNK2A3 Q8NEV1 1/20 0.49
CA7 P43166 1/20 0.49
AURKA O14965 1/20 0.48
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.47
MCL1 Q07820 2/20 0.47
RECQL P46063 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
POLB P06746 2/20 0.45
APEX1 P27695 1/20 0.45

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
SCHEMBL29400632 0.87 S100A4 (0.66) S100A4MAOAPTPRCCA2CA9
SCHEMBL2205543 0.87 S100A4 (0.66) S100A4MAOAPTPRCCA2CA9
SCHEMBL8777750 0.85 S100A4 (0.68) S100A4MAOAPTPRCCA2CA9
SCHEMBL2347136 0.85 S100A4 (0.84) S100A4PTPRCCA2CA9CA1
SCHEMBL11317413 0.81 S100A4 (0.78) S100A4PTPRCCA2CA9CA1
SCHEMBL10813560 0.81 S100A4 (0.66) S100A4MAOBPTPRCCA2CA9
SCHEMBL11515836 0.80 S100A4 (0.60) S100A4PTPRCCA2CA9CA1
SCHEMBL11210972 0.80 S100A4 (0.75) S100A4PTPRCCA2CA9CA1
Anthraquinone SCHEMBL27736010 0.80 S100A4 (0.79) S100A4MAOBPTPRCCA2CA9
SCHEMBL156735 0.80 S100A4 (0.79) S100A4MAOBPTPRCCA2CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0613366-A1 5,6-DIHYDROXYINDOLINE AS ADDITIVES FOR HAIR-DYEING PREPARATIONS. HENKEL KGAA (DE) 1994-09-07 EP disclosed
WO-1993009759-A1 5,6-DIHYDROXYINDOLINE AS ADDITIVES FOR HAIR-DYEING PREPARATIONS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1993-05-27 WO disclosed