SCHEMBL7378782

SCHEMBL7378782

O=C(O)c1nsc(NC(=O)C(CS)Cc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.50
ACE P12821 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
ECE1 P42892 1/20 0.50
BLM P54132 1/20 0.50
NPEPPS P55786 1/20 0.50
KMT2A Q03164 1/20 0.50
CPA3 P15088 1/20 0.48
FOLH1 Q04609 1/20 0.48

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
SCHEMBL7346610 0.81 CYP3A4 (0.41) ACEALDH1A1HPGDMEN1KMT2A
SCHEMBL7378784 0.78 CPA3 (0.38) MMEACEALDH1A1HPGDMAPK1
SCHEMBL386632 0.78 MME (0.51) MMEACEALDH1A1HPGDMAPK1
SCHEMBL9724924 0.76 CSNK1D (0.60) MMEACEALDH1A1HPGDMAPK1
SCHEMBL9724834 0.75 PKM (0.61) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7271417 0.74 MME (0.65) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7346217 0.74 MME (0.69) MMEACEALDH1A1HPGDMAPK1
SCHEMBL1914830 0.72 SMN1; SMN2 (0.62) HSD17B10MEN1MAPTKMT2A
SCHEMBL1914838 0.72 SMN1; SMN2 (0.62) HSD17B10MEN1MAPTKMT2A
SCHEMBL5097467 0.71 MME (0.57) MMEACEALDH1A1HPGDMAPK1

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
WO-1993009101-A1 MERCAPTO-AMIDE DERIVATIVES AS INHIBITORS OF THE NEUTRAL ENDOPEPTIDASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-13 WO disclosed