SCHEMBL11289381

SCHEMBL11289381

CS(=O)(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.46
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 3/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
HIF1A Q16665 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
TTR P02766 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
VCAM1 P19320 2/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL3696313 0.84 GPR35 (0.47) GPR35ALDH1A1TDP1KMT2AHPGD
SCHEMBL11743092 0.83 GPR35 (0.50) GPR35ALDH1A1TDP1KMT2AHPGD
SCHEMBL8065807 0.83 GPR35 (0.50) GPR35ALDH1A1TDP1KMT2AHPGD
SCHEMBL9603655 0.79 GPR35 (0.59) GPR35ALDH1A1TDP1KMT2AHPGD
SCHEMBL2960533 0.79 ALDH1A1 (0.56) GPR35ALDH1A1TDP1KMT2AHPGD
SCHEMBL213849 0.79 ALDH1A1 (0.62) GPR35ALDH1A1TDP1KMT2AHPGD
SCHEMBL10818750 0.79 ALDH1A1 (0.62) GPR35ALDH1A1TDP1KMT2AHPGD
SCHEMBL7826598 0.78 VCAM1 (0.49) ALDH1A1KMT2AKDM4EMEN1CYP1A2
Ammonia Solution, Strong SCHEMBL11695961 0.77 ALDH1A1 (0.60) GPR35ALDH1A1TDP1KMT2AHPGD
Hydrochloric Acid SCHEMBL10582751 0.77 ALDH1A1 (0.60) GPR35ALDH1A1TDP1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003259-B1 N-FORMYLANILIDO AROMATIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PROCESS FOR THE PREPARATION OF THE CORRESPONDING N-PHENYL AROMATIC AMINO COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-03-24 EP disclosed
US-4292446-A N-FORMYLANILINO AROMATICS, DIPHENYLAMINE INTERMEDIATES, PESTICIDES, PREPARATION FROM FORMANILIDES AND HALOAROMATICS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-09-29 US disclosed
EP-0003259-A1 N-Formylanilido aromatic compounds, process for their preparation and process for the preparation of the corresponding N-phenyl aromatic amino compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-08-08 EP disclosed