SCHEMBL8861649

SCHEMBL8861649

O=C(O)CNC(=O)C(CS)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.83
ACE P12821 3/20 0.83
ALDH1A1 P00352 2/20 0.83
HPGD P15428 1/20 0.83
MAPK1 P28482 1/20 0.83
HSD17B10 Q99714 1/20 0.83
MEN1 O00255 1/20 0.83
MAPT P10636 1/20 0.83
ECE1 P42892 1/20 0.83
BLM P54132 1/20 0.83
NPEPPS P55786 1/20 0.83
KMT2A Q03164 1/20 0.83
MMEL1 Q495T6 1/20 0.58

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
Thiorphan SCHEMBL401174 0.91 MME (1.00) MMEACEALDH1A1HPGDMAPK1
(R)-Thiorphan SCHEMBL7312756 0.91 MME (1.00) MMEACEALDH1A1HPGDMAPK1
(S)-Thiorphan SCHEMBL49662 0.91 MME (1.00) MMEACEALDH1A1HPGDMAPK1
SCHEMBL2877499 0.87 MMEL1 (0.75) MMEACEALDH1A1HPGDMAPK1
SCHEMBL2877506 0.87 MMEL1 (0.75) MMEACEALDH1A1HPGDMAPK1
SCHEMBL8861684 0.85 MME (0.77) MMEACEALDH1A1HPGDMAPK1
SCHEMBL8861591 0.83 MME (0.60) MMEACEALDH1A1HPGDMAPK1
Thiorphan SCHEMBL399227 0.83 MME (0.84) MMEACEALDH1A1HPGDMAPK1
Thiorphan SCHEMBL10038977 0.83 MME (0.78) MMEACEALDH1A1HPGDMAPK1
SCHEMBL10447979 0.81 MME (0.81) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0419327-B1 Amino acid derivatives, method for their preparation and their therapeutic application BIOPROJET SOC CIV (FR) 1994-07-27 EP claimed
US-5599951-A ENZYME INHIBITORS SOCIETE CIVILE BIOPROJET (FR) 1997-02-04 US disclosed