SCHEMBL3900659

SCHEMBL3900659

N#Cc1cccc(OCCNS(=O)(=O)c2ccc(Br)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ GAA P10253 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ HRAS P01112 1/20 0.46
▸ KRAS P01116 1/20 0.46
▸ CYP19A1 P11511 2/20 0.45
▸ TRPV4 Q9HBA0 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HTR1A P08908 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ CA9 Q16790 1/20 0.43

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
SCHEMBL3895495 0.91 MEN1 (0.55) MEN1KMT2AHTTNPSR1ALDH1A1
SCHEMBL3897403 0.85 HRAS (0.57) MEN1KMT2AHTTNPSR1ALDH1A1
SCHEMBL3899332 0.84 MEN1 (0.48) MEN1KMT2AHTTNPSR1ALDH1A1
SCHEMBL3903098 0.81 KAT6A (0.55) MEN1KMT2AHTTNPSR1ALDH1A1
SCHEMBL14132247 0.79 F10 (0.55) MEN1KMT2AHTTNPSR1HRAS
SCHEMBL3861652 0.74 LSS (0.50) KMT2AALDH1A1TDP1CYP19A1CA1
SCHEMBL13918681 0.74 KMT2A (0.58) MEN1KMT2AHTTNPSR1ALDH1A1
Trifluoroacetic Acid SCHEMBL3907682 0.73 F10 (0.53) —
SCHEMBL9129211 0.73 F2 (0.55) ALDH1A1CYP19A1CA1CA2CA9
SCHEMBL411104 0.73 ALDH1A1 (0.79) MEN1KMT2AHTTNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 — — EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 — — US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 — — EP disclosed
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