SCHEMBL9625851

SCHEMBL9625851

CN(c1ccccc1)c1nc(S(C)(=O)=O)nc(S(C)(=O)=O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.45
PTGS2 P35354 2/20 0.43
PTGS1 P23219 1/20 0.43
MAPK1 P28482 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BPTF Q12830 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
KMT2A Q03164 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
S1PR4 O95977 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL11105600 0.83 PTGS1 (0.45) NR3C2PTGS2PTGS1MAPK1CYP1A2
SCHEMBL8974883 0.78 TSHR (0.53) MAPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11364865 0.72 TSHR (0.45) MAPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10099644 0.71 ALDH1A1 (0.55) MAPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14904044 0.70 DPP4 (0.42) NR3C2PTGS2PTGS1MAPK1CYP1A2
SCHEMBL796429 0.69 ALDH1A1 (0.64) MAPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8973771 0.69 ALDH1A1 (0.59) MAPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2409649 0.69 TSHR (0.46) MAPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8631881 0.69 TSHR (0.46) MAPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14869412 0.69 DHFR (0.54) MAPK1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0151792-B1 REACTION OF AMINES WITH HETEROCYCLIC REACTIVE COMPOUNDS BAYER AG (DE) 1988-11-30 EP disclosed
EP-0255890-A1 Process for the reaction of amines with heterocyclic reactive compounds BAYER AG (DE) 1988-02-17 EP disclosed
EP-0158882-B1 TRIPHENEDIOXAZINE DYES BAYER AG (DE) 1987-12-16 EP disclosed
US-4695632-A ANIONIC DYE AFFINITY BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 US disclosed
US-4621138-A Triphendioxazine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-11-04 US disclosed
EP-0097289-B1 AZO DYESTUFFS BAYER AG (DE) 1986-10-15 EP disclosed
US-4280956-A CONTAINING SULFONAMIDE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 1981-07-28 US disclosed
US-4281124-A Reactive quaternary compounds, their preparation and their use for increasing the affinity of anionic dyestuffs for fibres which contain nitrogen or hydroxyl groups BAYER AKTIENGESELLSCHAFT (DE) 1981-07-28 US 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-4122079-A Reactive azo dyestuffs from diazotized sulfo-amino naphthalenes and diaminosulfobenzenes BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 US disclosed
US-4118382-A DYES FOR CELLULOSE, WOOL, SILK, POLYAMIDE, AND POLYURETHANE FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1978-10-03 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-4049704-A AZO REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-09-20 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