SCHEMBL7430284

SCHEMBL7430284

CN(C)c1ccc(NC(=O)C(CS)Cc2ccccc2)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNB1 Q14721 2/20 0.50
KCNB2 Q92953 1/20 0.49
MME P08473 6/20 0.48
ACE P12821 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
ECE1 P42892 1/20 0.47
BLM P54132 1/20 0.47
NPEPPS P55786 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7430839 0.85 CYP1A2 (0.47) KCNB1KCNB2MMEACEMEN1
SCHEMBL7426871 0.83 MME (0.51) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7426812 0.82 MEN1 (0.52) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7433420 0.81 KMT2A (0.52) MMEACEALDH1A1HPGDMAPK1
SCHEMBL9724810 0.81 MME (0.54) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7273219 0.80 ALDH1A1 (0.57) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7428057 0.80 MEN1 (0.52) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7271417 0.77 MME (0.65) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7432040 0.77 KDM4E (0.54) MMEACEALDH1A1HPGDMAPK1
SCHEMBL390864 0.76 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 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