SCHEMBL7438446

SCHEMBL7438446

O=C(O)c1cc2ccccc2cc1NC(=O)C(CS)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.52
MME P08473 5/20 0.52
ACE P12821 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
ECE1 P42892 1/20 0.52
BLM P54132 1/20 0.52
NPEPPS P55786 1/20 0.52
KMT2A Q03164 1/20 0.52
CPA3 P15088 1/20 0.50
FOLH1 Q04609 1/20 0.50
ABCC1 P33527 1/20 0.49

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
SCHEMBL10572943 0.84 MME (0.57) MMEACEALDH1A1HPGDMAPK1
Ammonia Solution, Strong SCHEMBL7396347 0.83 MME (0.56) MMEACEALDH1A1HPGDMAPK1
Ammonia Solution, Strong SCHEMBL7396350 0.83 MME (0.56) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7434438 0.82 GRIK1 (0.55) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7432719 0.82 MME (0.50) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7433959 0.82 CYP1A2 (0.51) PTPN1MMEACEALDH1A1HPGD
SCHEMBL7436407 0.79 MME (0.50) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7425850 0.79 MME (0.52) MMEACEALDH1A1HPGDMAPK1
SCHEMBL9724964 0.77 MME (0.58) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7271417 0.76 MME (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5210266-A Analgesic enkephalinase inhibitors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed
US-5179125-A Analgesics DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-01-12 US disclosed
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed