SCHEMBL7440967

SCHEMBL7440967

O=c1[nH]n(C2CCCC2)c(=O)n1C(S)CCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
ACE P12821 6/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
HSD11B1 P28845 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
SLC18A2 Q05940 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 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 0.81 KMT2A (0.39) KMT2AACEALDH1A1MEN1POLB
SCHEMBL7440962 0.79 HSD11B1 (0.37) KMT2AACEALDH1A1MEN1HSD11B1
SCHEMBL7435682 0.78 KMT2A (0.37) KMT2AACEALDH1A1MEN1POLB
SCHEMBL7436249 0.75 ACE (0.42) KMT2AACEALDH1A1MEN1
SCHEMBL7435787 0.75 DAO (0.36) KMT2AMEN1POLBMAPT
SCHEMBL7435674 0.71 CHRM1 (0.36) KMT2AACEALDH1A1MEN1POLB
SCHEMBL7425893 0.70 KMT2A (0.44) KMT2AALDH1A1MEN1HSD11B1POLB
SCHEMBL7432535 0.69 HSD11B1 (0.45) KMT2AALDH1A1MEN1HSD11B1NPSR1
SCHEMBL7434183 0.68 ALDH1A1 (0.37) KMT2AALDH1A1MEN1HSD11B1POLB
SCHEMBL7445427 0.67 ALDH1A1 (0.41) KMT2AACEALDH1A1MEN1HSD11B1

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