SCHEMBL7754095

SCHEMBL7754095

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 11/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
HIF1A Q16665 1/20 0.50
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
GPR35 Q9HC97 1/20 0.47
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA12 O43570 3/20 0.44
CA9 Q16790 3/20 0.44
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 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
SCHEMBL30741204 0.90 VCAM1 (0.50) VCAM1TDP1ALDH1A1CYP3A4HPGD
SCHEMBL29196112 0.90 VCAM1 (0.50) VCAM1TDP1ALDH1A1CYP3A4HPGD
SCHEMBL18780663 0.82 VCAM1 (0.49) VCAM1ALDH1A1CYP3A4CA1CA2
Potassium Ion SCHEMBL10477277 0.82 MEN1 (0.49) VCAM1TDP1ALDH1A1CYP3A4HPGD
SCHEMBL5870779 0.82 VCAM1 (0.68) VCAM1TDP1ALDH1A1CYP3A4HPGD
SCHEMBL5369611 0.82 NSD2 (0.61) VCAM1TDP1ALDH1A1CYP3A4HPGD
SCHEMBL6518948 0.82 ALDH1A1 (0.50) VCAM1TDP1ALDH1A1CA1CA2
SCHEMBL376610 0.80 VCAM1 (0.71) VCAM1ALDH1A1NPBWR1MCHR1
Potassium Ion SCHEMBL10477278 0.80 NSD2 (0.59) VCAM1TDP1ALDH1A1CYP3A4HPGD
SCHEMBL10477276 0.80 NSD2 (0.59) VCAM1TDP1ALDH1A1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068390-A1 METHOD FOR IMPROVED WET STRENGTH PAPER Kimberly-Clark Worldwide, Inc. (US) 2001-01-17 EP disclosed
WO-1999045201-A1 METHOD FOR IMPROVED WET STRENGTH PAPER KIMBERLY-CLARK WORLDWIDE, INC. (US) 1999-09-10 WO disclosed
US-5935383-A Method for improved wet strength paper KIMBERLY-CLARK WORLDWIDE, INC. (US) 1999-08-10 US disclosed
EP-0685470-A2 Benzene derivatives and pharmaceutical composition Kureha Chemical Industry Co., Ltd. (JP) 1995-12-06 EP disclosed
EP-0288824-B1 AROMATIC DIAMINES CONTAINING SULFONIC ACID ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF POLYURETHANE POLYMERS BAYER AG (DE) 1993-08-25 EP disclosed
US-4855410-A Process for the preparation of fibre-reactive azo compounds containing a phenylenediamine diazo component CIBA-GEIGY CORPORATION (US) 1989-08-08 US disclosed
US-4797427-A ESTERIFICATION, HYDROGENATION BAYER AKTIENGESELLSCHAFT (DE) 1989-01-10 US disclosed
US-4587275-A AROMATIC DIAMINE WITH SULFONIC ACID GROUP AS CHAIN EXTENSION AGENT BAYER AKTIENGESELLSCHAFT (DE) 1986-05-06 US disclosed
US-4568350-A Cold pad-batch process for dyeing silk or silk-containing fiber blends with reactive dyes CIBA-GEIGY CORPORATION (US) 1986-02-04 US disclosed
US-4560388-A WITH SULFO GROUP CONTAINING FIBER REACTIVE DYE CIBA-GEIGY CORPORATION (US) 1985-12-24 US disclosed
US-4394310-A DIAZOTIZATION, CYCLIZATION HOECHST AKTIENGESELLSCHAFT (DE) 1983-07-19 US disclosed
US-4330469-A Reactive dyes, processes for their manufacture and their use CIBA-GEIGY CORPORATION (US) 1982-05-18 US disclosed
EP-0037030-A1 Aromatic diamines containing sulphon amide groups BAYER AG (DE) 1981-10-07 EP disclosed
US-4283331-A FIBER-REACTIVE DYES CIBA-GEIGY CORPORATION (US) 1981-08-11 US disclosed
US-4210582-A FIBER-REACTIVE YELLOW DYES FOR WOOL CIBA-GEIGY CORPORATION (US) 1980-07-01 US disclosed
US-4141890-A FIBER-REACTIVE CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed
US-RE29585-E DYEING WOOL CIBA-GEIGY CORPORATION (US) 1978-03-21 US disclosed
US-4001203-A Heavy metal complexes of azo dyestuffs containing a heterocyclic diazo component and the residue of 5-halogeno-2,3-dihydrozypyridine as coupling component CIBA-GEIGY AG (CH) 1977-01-04 US disclosed
US-3971738-A Heavy metal complexes of azo compounds containing a halogeno-2,3-dihydroxy pyridine coupling component CIBA-GEIGY AG (CH) 1976-07-27 US disclosed