SCHEMBL7717587

SCHEMBL7717587

O=S(=O)(O)c1ccc(Nc2n[c]nc(F)n2)c(S(=O)(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 1/20 0.39
CHAT P28329 4/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
CASP6 P55212 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
RECQL P46063 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ELAVL1 Q15717 1/20 0.36
NT5E P21589 1/20 0.36
SNCA P37840 2/20 0.35
APEX1 P27695 2/20 0.35

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 0.90 SNCA (0.35) TIMP3CHATENPP3ENPP1CASP6
SCHEMBL7716378 0.86 SNCA (0.40) CASP6ALDH1A1KDM4EGAAMAPT
SCHEMBL6547200 0.86 ALDH1A1 (0.46) RAPGEF4CASP6ALDH1A1KDM4EPOLB
SCHEMBL7718715 0.86 LRRK2 (0.40) SNCACA12CA1CA2CA9
SCHEMBL10777078 0.86 TIMP3 (0.40) TIMP3CHATENPP3ENPP1RAPGEF4
SCHEMBL9484849 0.85 CA12 (0.47) TIMP3CHATENPP3ENPP1RAPGEF4
SCHEMBL9462489 0.85 CHAT (0.44) TIMP3CHATENPP3ENPP1RAPGEF4
SCHEMBL7712964 0.84 KDM4E (0.42) ALDH1A1KDM4EMEN1KMT2ASNCA
SCHEMBL7718114 0.84 SNCA (0.40) CASP6ALDH1A1KDM4EPOLBGAA
SCHEMBL8040793 0.84 ALDH1A1 (0.35) ALDH1A1GAAMAPTMEN1KMT2A

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 68 patents — showing the first 20. 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-6136970-A COLORFAST FIBER-REACTIVE DYES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-10-24 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-5931975-A TRIAZINE REACTIVE DYES CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-08-03 US disclosed
US-5892006-A CONTAINING S-TRIAZINE RINGS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-04-06 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-4772687-A AZO DYES, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1988-09-20 US disclosed
US-4665179-A FIBER-REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DE) 1987-05-12 US disclosed
US-4659806-A WASH-AND COLORFASTNESS BAYER AKTIENGESELLSCHAFT (DE) 1987-04-21 US disclosed
US-4638054-A Aminonaphthol bisazo reactive dyes BAYER AKTIENGESELLSCHAFT (DE) 1987-01-20 US disclosed
US-4622396-A FIBER REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DE) 1986-11-11 US disclosed
US-4621138-A Triphendioxazine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-11-04 US disclosed
US-4591643-A Triphendioxazine reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-05-27 US disclosed
US-4556707-A DYEING CELLULOSE FIBERS AND POLYAMIDE FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1985-12-03 US disclosed
US-4460505-A Dyestuffs, processes for their preparation and their use for dyeing materials containing hydroxyl groups or nitrogen BAYER AKTIENGESELLSCHAFT (DE) 1984-07-17 US disclosed