SCHEMBL7378784

SCHEMBL7378784

O=C(O)c1nsc(NCC(CS)Cc2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.38
FOLH1 Q04609 1/20 0.38
MMP2 P08253 1/20 0.37
MME P08473 7/20 0.36
CTRB1 P17538 3/20 0.36
ACE P12821 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
ECE1 P42892 1/20 0.36
BLM P54132 1/20 0.36
NPEPPS P55786 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7378782 0.78 MME (0.50) CPA3FOLH1MMEACEALDH1A1
SCHEMBL28526383 0.67 MME (0.55) CPA3FOLH1MMP2MMECTRB1
SCHEMBL892711 0.65 HDAC1 (0.45) ALDH1A1MEN1KMT2A
SCHEMBL8973724 0.65 ANPEP (0.60) CPA3FOLH1MMECTRB1
SCHEMBL8522559 0.62 MME (0.60) CPA3FOLH1MME
SCHEMBL28443386 0.62 ANPEP (0.52) CPA3FOLH1MMECTRB1ACE
SCHEMBL1559014 0.57 FOLH1 (1.00) CPA3FOLH1MME
SCHEMBL1464853 0.57 FOLH1 (1.00) CPA3FOLH1MME
SCHEMBL8837483 0.57 CTRB1 (0.73) CPA3FOLH1MMECTRB1ACE
SCHEMBL8837460 0.57 MME (0.73) CPA3FOLH1MMECTRB1ECE1

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
WO-1993009101-A1 MERCAPTO-AMIDE DERIVATIVES AS INHIBITORS OF THE NEUTRAL ENDOPEPTIDASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-13 WO disclosed