SCHEMBL7435682

SCHEMBL7435682

CC(=O)SC(CCc1ccccc1)n1c(=O)[nH]n(C2CCCC2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
ACE P12821 11/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CHRM3 P20309 1/20 0.34

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
SCHEMBL7439919 0.84 KMT2A (0.39) KMT2AACEALDH1A1MEN1POLB
SCHEMBL7440967 0.78 KMT2A (0.37) KMT2AACEALDH1A1MEN1POLB
SCHEMBL7435674 0.78 CHRM1 (0.36) KMT2AACEALDH1A1MEN1CNR1
SCHEMBL7439905 0.76 MDM2 (0.36) KMT2AALDH1A1MEN1POLBNPSR1
SCHEMBL7440962 0.71 HSD11B1 (0.37) KMT2AACEALDH1A1MEN1
SCHEMBL7188715 0.63 KMT2A (0.56) KMT2AALDH1A1MEN1CNR2POLB
SCHEMBL7436249 0.63 ACE (0.42) KMT2AACEALDH1A1MEN1
SCHEMBL7307985 0.62 ACE (0.47) KMT2AACEALDH1A1MEN1CNR2
SCHEMBL7307992 0.62 ACE (0.47) KMT2AACEALDH1A1MEN1CNR2
SCHEMBL13970215 0.62 ALDH1A1 (0.43) KMT2AALDH1A1MEN1CNR1CNR2

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