SCHEMBL8065807

SCHEMBL8065807

O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.50
ALDH1A1 P00352 7/20 0.46
TDP1 Q9NUW8 3/20 0.44
HPGD P15428 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 2/20 0.44
ALOX15 P16050 2/20 0.44
HIF1A Q16665 2/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TTR P02766 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
RECQL P46063 1/20 0.44
PMP22 Q01453 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 3/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL11743092 1.00 GPR35 (0.50) GPR35ALDH1A1TDP1HPGDKMT2A
SCHEMBL8969886 0.85 FLT1 (0.49) GPR35ALDH1A1TDP1HPGDKMT2A
SCHEMBL8970944 0.85 MCOLN3 (0.45) GPR35ALDH1A1TDP1HPGDKMT2A
SCHEMBL3696313 0.84 GPR35 (0.47) GPR35ALDH1A1TDP1HPGDKMT2A
SCHEMBL11289381 0.83 GPR35 (0.46) GPR35ALDH1A1TDP1HPGDKMT2A
SCHEMBL7441311 0.81 GPR35 (0.47) GPR35ALDH1A1TDP1HPGDKMT2A
SCHEMBL11648713 0.81 GPR35 (0.61) GPR35ALDH1A1TDP1HPGDKMT2A
SCHEMBL19071901 0.81 GPR35 (0.47) GPR35ALDH1A1TDP1HPGDKMT2A
SCHEMBL10623913 0.79 GPR35 (0.50) GPR35ALDH1A1TDP1HPGDKMT2A
SCHEMBL6935992 0.79 ALDH1A1 (0.56) GPR35ALDH1A1TDP1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1016405-A2 Arylating medicaments Radopath Pharmaceuticals International Limited (GB) 2000-07-05 EP claimed
CN-1124012-A Arylating medicaments RADOPATH LTD (GB) 1996-06-05 CN claimed
EP-0700287-A1 ARYLATING MEDICAMENTS RADOPATH LIMITED (GB) 1996-03-13 EP claimed
WO-1994027584-A2 ARYLATING MEDICAMENTS RADOPATH LIMITED (GB) 1994-12-08 WO claimed
US-4063889-A Halosolvent dyeing process for polyester with cationic dyes having sulfosuccinate anions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-12-20 US claimed
US-3963638-A SULFONATES EASTMAN KODAK COMPANY (US) 1976-06-15 US claimed
CN-120026000-A Glycosyltransferase coding gene screening identification and application of glycosyltransferase coding gene participating in triterpenoid saponin biosynthesis 安徽医科大学第一附属医院 2025-05-23 CN disclosed
EP-1016405-A2 Arylating medicaments Radopath Pharmaceuticals International Limited (GB) 2000-07-05 EP disclosed
CN-1124012-A Arylating medicaments RADOPATH LTD (GB) 1996-06-05 CN disclosed
EP-0700287-A1 ARYLATING MEDICAMENTS RADOPATH LIMITED (GB) 1996-03-13 EP disclosed
WO-1994027584-A2 ARYLATING MEDICAMENTS RADOPATH LIMITED (GB) 1994-12-08 WO disclosed
EP-0524212-A1 USE OF TRINITROBENZENES OR CARMINIC ACID IN THE TREATMENT OF CANCER OR VIRAL DISEASES RADOPATH LIMITED (GB) 1993-01-27 EP disclosed
WO-1991015200-A2 USE OF TRINITROBENZENES OR CARMINIC ACID IN THE TREATMENT OF CANCER OR VIRAL DISEASES RADOPATH LIMITED (GB) 1991-10-17 WO disclosed
US-4756715-A Cosmetic carrier, surfactant, nitrodiphenylamine hair dyes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1988-07-12 US disclosed
US-4063889-A Halosolvent dyeing process for polyester with cationic dyes having sulfosuccinate anions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-12-20 US disclosed
US-3963638-A SULFONATES EASTMAN KODAK COMPANY (US) 1976-06-15 US disclosed