SCHEMBL9724839

SCHEMBL9724839

O=C(Nc1cccc(O)c1)C(CS)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.55
ACE P12821 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.55
KMT2A Q03164 2/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ECE1 P42892 1/20 0.55
BLM P54132 1/20 0.55
NPEPPS P55786 1/20 0.55
CPA3 P15088 1/20 0.53
FOLH1 Q04609 1/20 0.53

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
SCHEMBL7271417 0.87 MME (0.65) MMEACEALDH1A1MEN1MAPT
SCHEMBL391430 0.85 FOLH1 (0.60) MMEACEALDH1A1MEN1MAPT
SCHEMBL9724958 0.85 MAPT (0.62) MMEACEALDH1A1MEN1MAPT
SCHEMBL9724979 0.85 MME (0.53) MMEACEALDH1A1MEN1MAPT
SCHEMBL9724811 0.85 MME (0.65) MMEACEALDH1A1MEN1MAPT
SCHEMBL7434454 0.84 FOLH1 (0.59) MMEACEALDH1A1MEN1MAPT
SCHEMBL7396819 0.83 PARP1 (0.52) MMEACEALDH1A1MEN1MAPT
SCHEMBL9724805 0.82 RAB9A (0.65) ALDH1A1MEN1KMT2AMAPK1
SCHEMBL7434449 0.82 MME (0.50) MMEACEALDH1A1MEN1MAPT
SCHEMBL7273219 0.82 ALDH1A1 (0.57) MMEACEALDH1A1MEN1MAPT

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