SCHEMBL9734010

SCHEMBL9734010

O=[N+]([O-])c1cc(OS(=O)(=O)Cl)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 15/20 0.54
ALPL P05186 2/20 0.48
ALPI P09923 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
RAF1 P04049 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
GFER P55789 1/20 0.48
PAX8 Q06710 1/20 0.48
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 1/20 0.47

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
SCHEMBL10767998 0.84 VCAM1 (0.55) VCAM1ALPLALPIALDH1A1LMNA
SCHEMBL11060413 0.82 VCAM1 (0.56) VCAM1ALDH1A1LMNAMAPT
SCHEMBL12903344 0.79 VCAM1 (0.53) VCAM1ALDH1A1LMNARAF1MAPT
SCHEMBL31362162 0.77 VCAM1 (0.51) VCAM1ALDH1A1LMNARAF1MAPT
SCHEMBL541479 0.77 ALDH1A1 (0.68) VCAM1ALDH1A1LMNARAF1MAPT
SCHEMBL9871798 0.76 APEX1 (0.50) ALDH1A1LMNA
SCHEMBL9397233 0.76 VCAM1 (0.50) VCAM1ALDH1A1LMNARAF1MAPT
SCHEMBL9506637 0.76 TDP1 (0.42) VCAM1ALPLALPIALDH1A1LMNA
SCHEMBL376610 0.75 VCAM1 (0.71) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL30430066 0.75 VCAM1 (0.71) VCAM1ALDH1A1NPBWR1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086128-A HIGH MOLECULAR WEIGHT ARYLENE SULPHIDE POLYMER MELT MIXED WITH AROMATIC NITRO COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed
EP-0101408-B1 MONOAZO DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1986-05-07 EP disclosed
EP-0101408-A1 Monoazo dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1984-02-22 EP disclosed
US-4216161-A 3,4-Diaminophenyl sulfonic acid esters HOECHST AKTIENGESELLSCHAFT (DE) 1980-08-05 US disclosed
US-3996369-A Anthelmintically active 2-carbalkoxyamino benzimidazolyl-5(6)-sulfonic acid phenyl esters HOECHST AKTIENGESELLSCHAFT (DT) 1976-12-07 US disclosed