SCHEMBL9724867

SCHEMBL9724867

COc1ccccc1NC(=O)C(CS)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.54
ACE P12821 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
ECE1 P42892 1/20 0.53
BLM P54132 1/20 0.53
NPEPPS P55786 1/20 0.53
KMT2A Q03164 1/20 0.53
TSHR P16473 1/20 0.53
CPA3 P15088 1/20 0.51
FOLH1 Q04609 1/20 0.51

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
SCHEMBL7434110 0.86 LTB4R (0.53) MMEACEALDH1A1HPGDMAPK1
SCHEMBL30452554 0.81 TSHR (0.55) ALDH1A1MEN1MAPTKMT2ATSHR
SCHEMBL16993931 0.81 TSHR (0.55) ALDH1A1MEN1MAPTKMT2ATSHR
SCHEMBL9724825 0.81 TSHR (0.55) ALDH1A1MEN1MAPTKMT2ATSHR
SCHEMBL9724984 0.81 LMNA (0.61) MMEACEALDH1A1HPGDMAPK1
Benzene SCHEMBL7277187 0.81 TSHR (0.58) ALDH1A1MEN1MAPTKMT2ATSHR
SCHEMBL9724964 0.81 MME (0.58) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7282286 0.80 MME (0.57) MMEACEALDH1A1HPGDMAPK1
SCHEMBL9724871 0.80 MME (0.57) MMEACEALDH1A1HPGDMAPK1
SCHEMBL10572943 0.80 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098934-A Enkephalinase inhibitors as analgesics or anticargcinogenic agents ROUSSEL UCLAF (FR) 1992-03-24 US disclosed