SCHEMBL5502346

SCHEMBL5502346

COc1cc(NC(=O)c2ccc([AsH]S(C)(=O)=O)c(OC)c2)ccc1NS(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.51
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ LMNA P02545 3/20 0.47
▸ USP2 O75604 1/20 0.46
▸ MAPT P10636 5/20 0.45
▸ RAB9A P51151 5/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ TP53 P04637 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ NQO2 P16083 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL3245157 0.90 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL3241519 0.84 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL3245109 0.84 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL13293346 0.83 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL13293317 0.81 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL3245238 0.80 MAPT (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL17507532 0.78 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL3247653 0.78 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL3234337 0.77 RAB9A (0.72) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3244264 0.77 RAB9A (0.67) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751097-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES Proteotech, Inc. (US) 2007-02-14 — — EP disclosed
WO-2005113489-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTEOTECH, INC. (US) 2005-12-01 — — WO disclosed
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