SCHEMBL10413159

SCHEMBL10413159

Nc1ccc(-n2[nH]c(C(=O)O)cc2=O)cc1S(=O)(=O)O.Nc1ccc(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALKBH5 Q6P6C2 17/20 0.50
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CASP6 P55212 1/20 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
SCHEMBL10412044 0.94 ALKBH5 (0.47) ALKBH5ALDH1A1KDM4EMAPTKMT2A
SCHEMBL10390963 0.94 ALKBH5 (0.56) ALKBH5ALDH1A1KDM4EMAPTKMT2A
SCHEMBL10412743 0.88 ALKBH5 (0.50) ALKBH5ALDH1A1KDM4EMAPTKMT2A
SCHEMBL10412787 0.84 ALKBH5 (0.51) ALKBH5ALDH1A1KDM4EMAPTKMT2A
SCHEMBL8751526 0.84 ALKBH5 (0.56) ALKBH5ALDH1A1KDM4EMAPTKMT2A
SCHEMBL67421 0.82 ALKBH5 (0.66) ALKBH5ALDH1A1KDM4EMAPTKMT2A
SCHEMBL5162317 0.80 ALKBH5 (0.46) ALKBH5ALDH1A1KDM4EHSD17B10
SCHEMBL11228689 0.80 ALKBH5 (0.52) ALKBH5ALDH1A1MAPT
SCHEMBL693103 0.79 ALKBH5 (0.64) ALKBH5ALDH1A1TDP1HSD17B10
SCHEMBL691280 0.78 ALKBH5 (0.57) ALKBH5ALDH1A1KDM4EMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4906738-A Water-soluble phenyl- or naphthyl-azo-carboxypyrazolone compounds, containing a fiber-reactive group with a chloratriazinyl moiety and a group of the vinylsulfone series in the pyrazolone coupling component, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-03-06 — — US disclosed
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