SCHEMBL7425832

SCHEMBL7425832

CCc1cc(NC(=O)C(CS)Cc2ccccc2)cc(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MME P08473 6/20 0.50
ACE P12821 3/20 0.49
ALDH1A1 P00352 2/20 0.49
FOLH1 Q04609 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ECE1 P42892 1/20 0.49
BLM P54132 1/20 0.49
NPEPPS P55786 1/20 0.49
CPA3 P15088 1/20 0.47
TP53 P04637 1/20 0.46

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
SCHEMBL7427956 0.87 MME (0.51) MEN1KMT2AMMEACEALDH1A1
SCHEMBL7427580 0.85 MME (0.52) MEN1KMT2AMMEACEALDH1A1
SCHEMBL7430576 0.84 CYP1A2 (0.49) MEN1KMT2AMMEACEALDH1A1
SCHEMBL391430 0.83 FOLH1 (0.60) MEN1KMT2AMMEACEALDH1A1
SCHEMBL7434454 0.81 FOLH1 (0.59) MEN1KMT2AMMEACEALDH1A1
SCHEMBL7438934 0.81 TACR1 (0.49) MEN1KMT2AMMEACEALDH1A1
SCHEMBL390864 0.81 MME (0.57) MEN1KMT2AMMEACEALDH1A1
SCHEMBL7271417 0.79 MME (0.65) MEN1KMT2AMMEACEALDH1A1
SCHEMBL7433322 0.79 ALDH1A1 (0.58) MEN1KMT2AMMEALDH1A1FOLH1
SCHEMBL7440850 0.78 MAPT (0.60) MEN1KMT2AALDH1A1MAPTHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

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