SCHEMBL7436285

SCHEMBL7436285

O=C(O)C(Cc1ccccc1)N1C(=O)N(C(S)CCc2ccccc2)C(=O)C1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
PKM P14618 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 2/20 0.39
AADAT Q8N5Z0 1/20 0.39
HSD17B10 Q99714 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTPN7 P35236 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL7428527 0.85 POLB (0.38) POLBTSHRACE
SCHEMBL7436282 0.83 ALDH1A1 (0.45) ALDH1A1PKMGAAKMT2AAADAT
SCHEMBL7443207 0.78 ACE (0.41) ACE
SCHEMBL7442316 0.74 ALDH1A1 (0.51) ALDH1A1PKMGAAKMT2AAADAT
SCHEMBL7445183 0.72 ACE (0.38) ACE
SCHEMBL7441067 0.70 CYP3A4 (0.44) ALDH1A1GAAKMT2AHSD17B10NPSR1
SCHEMBL7436759 0.67 LMNA (0.41) GAAKMT2AL3MBTL1POLBMEN1
SCHEMBL7439237 0.67 ACE (0.41) ACE
SCHEMBL7436241 0.66 ACE (0.42) POLBACE
SCHEMBL7435799 0.65 ACE (0.39) ACE

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
EP-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed