SCHEMBL7367991

SCHEMBL7367991

O=C(NN1CCCC1)C(CS)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.57
ACE P12821 3/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
ECE1 P42892 1/20 0.57
BLM P54132 1/20 0.57
NPEPPS P55786 1/20 0.57
KMT2A Q03164 1/20 0.57
CPA3 P15088 1/20 0.55
FOLH1 Q04609 1/20 0.55

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
SCHEMBL7368451 0.99 MME (0.56) MMEACEALDH1A1HPGDMAPK1
SCHEMBL2680002 0.88 CPA3 (0.55) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7377128 0.80 CYP1A2 (0.55) MMEACE
SCHEMBL7366168 0.79 CYP1A2 (0.54) MMEACEHPGD
SCHEMBL9396607 0.77 CPA3 (0.43) MMEACEALDH1A1HPGDMAPK1
SCHEMBL3266606 0.76 HTT (0.48) ALDH1A1
SCHEMBL3267717 0.76 HTT (0.48) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL27533361 0.76 HTT (0.48) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL7271417 0.74 MME (0.65) MMEACEALDH1A1HPGDMAPK1
SCHEMBL10805394 0.74 MME (0.74) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0280627-B1 DERIVATIVES OF N-SUBSTITUTED ALPHA-MERCAPTOMETHYL-BENZENE-PROPANAMIDE, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-04-21 EP claimed
US-4839358-A ANALGESICS, ANTIDEPRESSANTS, ANTIANXIETY AGENTS ROUSSEL UCLAF (FR) 1989-06-13 US claimed
EP-0280627-B1 DERIVATIVES OF N-SUBSTITUTED ALPHA-MERCAPTOMETHYL-BENZENE-PROPANAMIDE, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-04-21 EP disclosed
EP-0280627-A2 Derivatives of N-substituted alpha-mercaptomethyl-benzene-propanamide, process for their preparation, their use as medicines and compositions containing them ROUSSEL-UCLAF (FR) 1988-08-31 EP disclosed