SCHEMBL9009745

SCHEMBL9009745

CCS(=O)(=O)c1cnc(F)nc1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
APLNR P35414 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL11694489 0.76 TET2 (0.36) ALOX5APFEN1
SCHEMBL10865698 0.69 PSIP1 (0.30)
SCHEMBL23014434 0.67 NPC1 (0.37) ALOX5APFEN1
SCHEMBL21719319 0.65
SCHEMBL22499916 0.65 COMT (0.50) COMTALOX5APFEN1
SCHEMBL30148433 0.65 COMT (0.50) COMTALOX5APFEN1
SCHEMBL21633471 0.63 ALDH1A1 (0.38)
SCHEMBL9009770 0.63
SCHEMBL845711 0.63 PSIP1 (0.34)
SCHEMBL21719315 0.63 ALOX5AP (0.31) ALOX5APFEN1

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502173-A Process for the preparation of a substituted 2-amino-1-sulphonaphthalene BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
US-5241057-A Blue shades BAYER AKTIENGESELLSHAFT (DE) 1993-08-31 US disclosed
EP-0494456-A1 Improved process for the preparation of a substituted 2-amino-1-sulfonaphthaline BAYER AG (DE) 1992-07-15 EP disclosed
EP-0321784-B1 FORMAZANE DYES CONTAINING HEAVY METALS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING AND PRINTING FIBROUS MATERIALS BAYER AG (DE) 1992-03-18 EP disclosed
EP-0255890-B1 PROCESS FOR THE REACTION OF AMINES WITH HETEROCYCLIC REACTIVE COMPOUNDS BAYER AG (DE) 1990-08-29 EP disclosed
EP-0321784-A2 Formazane dyes containing heavy metals, process for their preparation and their use in dyeing and printing fibrous materials BAYER AG (DE) 1989-06-28 EP disclosed
US-4841030-A Azo reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed
EP-0203505-B1 DISAZO METAL COMPLEX DYES BAYER AG (DE) 1989-05-24 EP disclosed
EP-0186812-B1 REACTIVE DYES BAYER AG (DE) 1989-01-25 EP disclosed
EP-0151792-B1 REACTION OF AMINES WITH HETEROCYCLIC REACTIVE COMPOUNDS BAYER AG (DE) 1988-11-30 EP disclosed
US-4126609-A AZO DYESTUFF WITH A FIBER-REACTIVE GROUP ATTACHED TO A NAPHTHALENE SULPHONIC ACID COMPONENT BAYER AKTIENGESELLSCHAFT (DE) 1978-11-21 US disclosed
US-4118382-A DYES FOR CELLULOSE, WOOL, SILK, POLYAMIDE, AND POLYURETHANE FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-4089895-A COUPLER FOR AZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1978-05-16 US disclosed
US-4065446-A Reactive dyestuffs containing urea alkylene linkage between chromophore and reactive radical BAYER AKTIENGESELLSCHAFT (DT) 1977-12-27 US disclosed
US-4052386-A REACTIVE PHTHALOCYANINE DYESTUFFS CONTAINING A FLUOROPYRIMIDINYL GROUP BAYER AKTIENGESELLSCHAFT (DT) 1977-10-04 US disclosed
US-4049704-A AZO REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-09-20 US disclosed
US-4024123-A TEXTILES DUSSY PAUL 1977-05-17 US disclosed
US-3989692-A PHTHALOCYANINE DYES, WOOL, SILK, POLYAMIDES, CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 US disclosed
US-3988310-A FIBER-REACTIVE DYES; CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-10-26 US disclosed
US-3957751-A WATER-SOLUBLE REACTIVE DYESTUFFS OF THE MONOAZO SERIES CONTAINING AN ACTIVE METHYLENE COUPLING COMPONENT HOECHST AKTIENGESELLSCHAFT (DT) 1976-05-18 US disclosed