SCHEMBL6169635

SCHEMBL6169635

O=C(Nc1ccc(-c2cncnc2)cc1)C(CS)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 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
SCHEMBL6167389 0.88 ECE1 (0.51) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7271417 0.83 MME (0.65) MMEACEALDH1A1HPGDMAPK1
SCHEMBL6159992 0.82 MME (0.69) MMEACE
SCHEMBL6162138 0.82 MME (0.69) MMEACE
SCHEMBL6159984 0.82 MME (0.69) MMEACE
SCHEMBL6169697 0.82 ROCK2 (0.40)
SCHEMBL5097467 0.82 MME (0.57) MMEACEALDH1A1HPGDMAPK1
SCHEMBL6168382 0.81 WNT3A (0.47) MMEACEALDH1A1HPGDMAPK1
SCHEMBL9724811 0.80 MME (0.65) MMEACEALDH1A1HPGDMAPK1
SCHEMBL6169634 0.80 MME (0.52) 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
EP-0877740-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2005-03-30 EP claimed