SCHEMBL10412787

SCHEMBL10412787

Nc1cc(Cl)c(S(=O)(=O)O)cc1Cl.Nc1ccc(-n2[nH]c(C(=O)O)cc2=O)cc1S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALKBH5 Q6P6C2 17/20 0.51
▸ MME P08473 1/20 0.34
▸ CDC25B P30305 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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) ALKBH5CDC25BKDM4EALDH1A1MAPT
SCHEMBL10413159 0.84 ALKBH5 (0.50) ALKBH5KDM4EALDH1A1MAPTKMT2A
SCHEMBL10412743 0.84 ALKBH5 (0.50) ALKBH5KDM4EALDH1A1MAPTKMT2A
SCHEMBL10412044 0.82 ALKBH5 (0.47) ALKBH5KDM4EALDH1A1MAPTKMT2A
SCHEMBL8751526 0.81 ALKBH5 (0.56) ALKBH5KDM4EALDH1A1MAPTKMT2A
SCHEMBL1266941 0.77 ALKBH5 (0.49) ALKBH5KDM4EALDH1A1KMT2A
SCHEMBL11228689 0.76 ALKBH5 (0.52) ALKBH5ALDH1A1MAPT
SCHEMBL691280 0.74 ALKBH5 (0.57) ALKBH5KDM4EALDH1A1MAPTKMT2A
SCHEMBL8751481 0.74 ALDH1A1 (0.49) ALKBH5KDM4EALDH1A1MAPTKMT2A
SCHEMBL11590338 0.73 ALKBH5 (0.38) ALKBH5KMT2A

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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