SCHEMBL10944737

SCHEMBL10944737

Nc1ccc(Oc2ccc(N)cc2S(=O)(=O)CCO)c(S(=O)(=O)CCO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 10/20 0.46
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ RAPGEF4 Q8WZA2 1/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ RECQL P46063 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ THRB P10828 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
SCHEMBL8165270 0.87 CA2 (0.44) CA2ALDH1A1KDM4EGAAMAPT
SCHEMBL10581528 0.86 CA2 (0.43) CA2PTGDR2HSD17B10RAPGEF4ALDH1A1
SCHEMBL10948058 0.83 HSD17B10 (0.38) CA2PTGDR2HSD17B10RAPGEF4CYP2C9
SCHEMBL10605653 0.82 CA2 (0.56) CA2HSD17B10RAPGEF4ALDH1A1RECQL
SCHEMBL9877386 0.81 CA2 (0.54) CA2HSD17B10RAPGEF4ALDH1A1RECQL
SCHEMBL9357049 0.79 CA2 (0.53) CA2HSD17B10RAPGEF4CYP2C9ALDH1A1
SCHEMBL9498840 0.78 CA2 (0.47) CA2RAPGEF4ALDH1A1RECQLL3MBTL1
SCHEMBL31263607 0.78 CA2 (0.47) CA2RAPGEF4ALDH1A1RECQLL3MBTL1
SCHEMBL9357527 0.78 CA2 (0.47) CA2HSD17B10RAPGEF4ALDH1A1RECQL
SCHEMBL5474330 0.77 CA2 (0.68) CA2HSD17B10RAPGEF4ALDH1A1RECQL

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-4534908-A Water-soluble disazo compounds and new bis-(aminophenoxy)-ethane compounds having fiber-reactive groups as the tetrazo components, and use of the disazo compounds as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1985-08-13 — — US disclosed
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