SCHEMBL7720114

SCHEMBL7720114

O=S(=O)(O)c1ccc2c(Nc3n[c]nc(F)n3)cc(S(=O)(=O)O)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 5/20 0.39
PRMT1 Q99873 1/20 0.38
NSD2 O96028 3/20 0.37
DUSP3 P51452 2/20 0.37
PTPN5 P54829 2/20 0.37
PTPN11 Q06124 2/20 0.37
SNCA P37840 2/20 0.36
RHOA P61586 1/20 0.36
CYP2C9 P11712 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
APEX1 P27695 2/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL4650779 0.85 SNCA (0.35) CASP6SNCARHOACYP2C9ALDH1A1
SCHEMBL7718114 0.84 SNCA (0.40) CASP6SNCAALDH1A1TDP1CA12
SCHEMBL8040793 0.84 ALDH1A1 (0.35) SNCAALDH1A1MEN1KMT2ACA12
SCHEMBL7717587 0.82 TIMP3 (0.39) CASP6NSD2SNCARHOACYP2C9
SCHEMBL7712957 0.82 ALDH1A1 (0.39) SNCACYP2C9ALDH1A1CYP2C19HSD17B10
SCHEMBL7718715 0.81 LRRK2 (0.40) SNCACA12CA1CA2CA9
SCHEMBL7716378 0.81 SNCA (0.40) CASP6SNCAALDH1A1TDP1CA12
SCHEMBL7718746 0.81 SNCA (0.55) CASP6PRMT1NSD2DUSP3PTPN5
SCHEMBL7717623 0.81 ENPP2 (0.34) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL7712964 0.80 KDM4E (0.42) SNCAALDH1A1HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808015-A RED FIBER REACTIVE, ACID DYES FOR CELLULOSE FIBERS, COTTON, WOOL, SILK, POLYAMIDES, POLYESTERS, POLYOLEFINS AND POLYACRYLONITRILE; COLORFASTNESS; BRIGHTNESS; TRIAZINE DYES BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US claimed
US-5744589-A FOR DYEING OR PRINTING SUBSTRATES BAYER AKTIENGESELLSCHAFT (DE) 1998-04-28 US claimed
US-6376656-B1 DISAZO DYES, TRIAZINE DYES DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2002-04-23 US disclosed
US-6046311-A Water-soluble fiber-reactive dyes, preparation thereof and use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2000-04-04 US disclosed
US-6025478-A HIGH REACTIVITY AND FIXING CAPACITY, GOOD LOW TEMPERATURE DYEING, GOOD COLOR INTENSITY, LIGHTFASTNESS, WASHFASTNESS BAYER AG (DE) 2000-02-15 US disclosed
US-5955615-A COUPLERS BAYER AKTIENGESELLSCHAFT (DE) 1999-09-21 US disclosed
US-5808015-A RED FIBER REACTIVE, ACID DYES FOR CELLULOSE FIBERS, COTTON, WOOL, SILK, POLYAMIDES, POLYESTERS, POLYOLEFINS AND POLYACRYLONITRILE; COLORFASTNESS; BRIGHTNESS; TRIAZINE DYES BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed
US-5760193-A FOR COTTON, WOOL, POLYAMIDES; HIGH COLOR STRENGTH, COLORFASTNESS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-06-02 US disclosed
US-5744589-A FOR DYEING OR PRINTING SUBSTRATES BAYER AKTIENGESELLSCHAFT (DE) 1998-04-28 US disclosed
US-5625042-A DYEING OR PRINTING MATERIAL HYDROXY OR AMIDE GROUPS BY APPLYING DYES WITH DISAZO AND TRIAZINE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed
US-5541300-A Azo dyestuffs carrying sulphonylated amino-halo-triazinyl reactive site plus second different site BAYER AKTIENGESELLSCHAFT (DE) 1996-07-30 US disclosed
US-5534052-A Polymeric dyestuffs and their use in inks for ink jet printing processes BAYER AKTIENGESELLSCHAFT (DE) 1996-07-09 US disclosed
US-5503666-A FROM POLYAMINES, COMPOUNDS WITH AT LEAST TWO GROUPS REACTIVE TOWARD AMINES, DYESTUFFS, AND CARBONYL- OR SULFONYL-CONTAINING ACYLATING AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-04-02 US disclosed
US-5401277-A For cotton BAYER AKTIENGESELLSCHAFT (DE) 1995-03-28 US disclosed
US-5378817-A FOR DYEING COTTON BAYER AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
US-5342927-A Containing 2,4-difluoropyrimidine group; wet fastness BAYER AKTIENGESELLSCHAFT (DE) 1994-08-30 US disclosed
US-5278293-A Aromatic amide-alkylenesulfonic acid fiber-reactive dyes BAYER AKTIENGESELLSCHAFT (DE) 1994-01-11 US disclosed
US-5274083-A A 2-halopyrimidinylaminoalkylamino-4-chloro-6-sulfonyl-substituted chromophore group-s-triazine BAYER AKTIENGESELLSCHAFT (DE) 1993-12-28 US disclosed
US-5095102-A 6-SUBSTITUTED SULPHONYL-8-SULPHO-2-NAPHTHYL MONOAZO REACTIVE DYESTUFFS BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
US-5057609-A TRIPHENDIOXAZINE DYESTUFFS BAYER AKTIENGESELLSCHAFT (DE) 1991-10-15 US disclosed