SCHEMBL3897403

SCHEMBL3897403

N#Cc1cccc(OCCNS(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRAS P01112 1/20 0.57
▸ KRAS P01116 1/20 0.57
▸ KAT6A Q92794 3/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ F2 P00734 1/20 0.50
▸ TPSAB1 Q15661 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ CYP19A1 P11511 1/20 0.48
▸ CTSS P25774 1/20 0.46

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
SCHEMBL3903098 0.97 KAT6A (0.55) HRASKRASKAT6ANPSR1MEN1
SCHEMBL3895495 0.88 MEN1 (0.55) HRASKRASNPSR1MEN1HTT
SCHEMBL14712382 0.86 NPSR1 (0.67) HRASKRASNPSR1MEN1HTT
SCHEMBL3900659 0.85 MEN1 (0.52) HRASKRASNPSR1MEN1HTT
SCHEMBL3899332 0.81 MEN1 (0.48) HRASKRASKAT6ANPSR1MEN1
SCHEMBL14132207 0.80 F2 (0.58) HRASKRASKAT6ANPSR1F2
SCHEMBL14132052 0.76 F2 (0.57) HRASKRASKAT6AF2ALDH1A1
SCHEMBL29141912 0.74 ALDH1A1 (0.65) HRASKRASMEN1HTTKMT2A
Trifluoroacetic Acid SCHEMBL3899556 0.74 F2 (0.67) HRASKRASKAT6AF2
SCHEMBL23613609 0.72 KRAS (1.00) HRASKRASNPSR1MEN1HTT

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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