SCHEMBL9724810

SCHEMBL9724810

CN(C)c1ccc(NC(=O)C(CS)Cc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.54
ALDH1A1 P00352 3/20 0.53
ACE P12821 3/20 0.53
MAPK1 P28482 2/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 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
NPC1 O15118 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
MCL1 Q07820 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL7273219 0.86 ALDH1A1 (0.57) MMEALDH1A1ACEMAPK1MAPT
SCHEMBL7271417 0.86 MME (0.65) MMEALDH1A1ACEMAPK1MAPT
SCHEMBL9724811 0.83 MME (0.65) MMEALDH1A1ACEMAPK1MAPT
SCHEMBL7373900 0.83 CYP1A2 (0.56) MMEALDH1A1ACEMAPK1MAPT
SCHEMBL9724827 0.82 MEN1 (0.59) MMEALDH1A1ACEMAPK1MAPT
SCHEMBL390864 0.82 MME (0.57) MMEALDH1A1ACEMAPK1MAPT
SCHEMBL9724992 0.82 MME (0.57) MMEALDH1A1ACEMAPK1MAPT
SCHEMBL7293333 0.82 MME (0.62) MME
SCHEMBL7431248 0.82 FOLH1 (0.49) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL7293308 0.82 MME (0.62) MME

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