SCHEMBL9587402

SCHEMBL9587402

O=C(O)c1cccc(NC(=O)C(CS)Cc2ccccc2)c1.O=C(O)c1cccc(NC(=O)C(CSSCC(Cc2ccccc2)C(=O)Nc2cccc(C(=O)O)c2)Cc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.53
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
MME P08473 3/20 0.47
ACE P12821 2/20 0.47
ANPEP P15144 1/20 0.47
ENPEP Q07075 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
ECE1 P42892 1/20 0.47
BLM P54132 1/20 0.47
NPEPPS P55786 1/20 0.47
LMNA P02545 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
SCHEMBL7440807 0.94 ALDH1A1 (0.53) ALDH1A1MAPK1KMT2ARAB9ANPC1
SCHEMBL391430 0.93 FOLH1 (0.60) FOLH1ALDH1A1MAPK1KMT2ARAB9A
SCHEMBL7434454 0.92 FOLH1 (0.59) FOLH1ALDH1A1MAPK1KMT2ARAB9A
SCHEMBL7427703 0.84 FOLH1 (0.52) FOLH1ALDH1A1KMT2AMEN1
SCHEMBL7435223 0.84 FOLH1 (0.52) FOLH1ALDH1A1ANPEPENPEP
SCHEMBL7389852 0.84 ALDH1A1 (0.50) ALDH1A1MAPK1KMT2ARAB9ANPC1
SCHEMBL7396819 0.83 PARP1 (0.52) FOLH1ALDH1A1MAPK1KMT2AMME
SCHEMBL392082 0.83 ALDH1A1 (0.52) ALDH1A1MAPK1KMT2ARAB9ANPC1
SCHEMBL7434449 0.82 MME (0.50) ALDH1A1MAPK1KMT2AMMEACE
SCHEMBL7433322 0.81 ALDH1A1 (0.58) FOLH1ALDH1A1KMT2ARAB9AMME

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-5210266-A Analgesic enkephalinase inhibitors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed