SCHEMBL8751526

SCHEMBL8751526

Nc1cc(-n2[nH]c(C(=O)O)cc2=O)ccc1S(=O)(=O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALKBH5 Q6P6C2 17/20 0.56
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTR6 P50406 1/20 0.34

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
SCHEMBL10390963 0.90 ALKBH5 (0.56) ALKBH5KDM4EALDH1A1MAPTKMT2A
SCHEMBL10412044 0.89 ALKBH5 (0.47) ALKBH5KDM4EALDH1A1MAPTKMT2A
SCHEMBL10412743 0.87 ALKBH5 (0.50) ALKBH5KDM4EALDH1A1MAPTKMT2A
SCHEMBL691280 0.85 ALKBH5 (0.57) ALKBH5KDM4EALDH1A1MAPTKMT2A
SCHEMBL11228689 0.85 ALKBH5 (0.52) ALKBH5ALDH1A1MAPT
SCHEMBL10413159 0.84 ALKBH5 (0.50) ALKBH5KDM4EALDH1A1MAPTKMT2A
SCHEMBL7894943 0.82 ALDH1A1 (0.49) ALKBH5KDM4EALDH1A1MAPTKMT2A
SCHEMBL11590370 0.82 ALKBH5 (0.38) ALKBH5KMT2A
SCHEMBL11504634 0.81 ALDH1A1 (0.54) ALKBH5KDM4EALDH1A1MAPTKMT2A
SCHEMBL10412787 0.81 ALKBH5 (0.51) ALKBH5KDM4EALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497174-B1 Bifunctional reactive dyes containing vinylsulfone/pyrimidine groups BAYER AG (DE) 1997-03-05 — — EP disclosed
EP-0395951-B1 Polyfunctional reactive dyes BAYER AG (DE) 1994-08-24 — — EP disclosed
EP-0418664-B1 Reactive dyes BAYER AG (DE) 1994-06-22 — — EP disclosed
US-5319074-A Colorfast dyes for cellulose and polyamides BAYER AKTIENGESELLSCHAFT (DE) 1994-06-07 — — 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
EP-0497174-A1 Bifunctional reactive dyes containing vinylsulfone/pyrimidine groups BAYER AG (DE) 1992-08-05 — — EP disclosed
EP-0281898-B1 REACTIVE DYES BAYER AG (DE) 1991-07-10 — — EP disclosed
EP-0395951-A1 Polyfunctional reactive dyes BAYER AG (DE) 1990-11-07 — — EP disclosed
EP-0281898-A2 Reactive dyes BAYER AG (DE) 1988-09-14 — — EP disclosed
US-4649193-A COTTON, WOOL, POLYAMIDES; COLOR-AND WASH FASTNESS HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-10 — — US disclosed
EP-0040806-B1 WATER-SOLUBLE, COLOURED COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-19 — — EP disclosed
EP-0040806-A2 Water-soluble, coloured compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1981-12-02 — — EP disclosed
US-4145340-A WATER-SOLUBLE REACTIVE MONOAZO DYE CONTAINING A NONYLPHENOXY, CHLOROTRIAZINE GROUP IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-03-20 — — US disclosed
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