SCHEMBL7440962

SCHEMBL7440962

O=c1[nH]n(C2CCCC2)c(=O)n1C(CS)Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MDM2 Q00987 1/20 0.34
KMT2A Q03164 3/20 0.34
TSHR P16473 1/20 0.34
CHRM1 P11229 1/20 0.34
PDE9A O76083 1/20 0.34
ACE P12821 3/20 0.34
MME P08473 2/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL7439905 0.84 MDM2 (0.36) ALDH1A1GAACYP2C9CYP2C19MDM2
SCHEMBL7435674 0.81 CHRM1 (0.36) ALDH1A1GAACYP3A4CYP2C9CYP2C19
SCHEMBL7435783 0.76 CPA3 (0.36) ALDH1A1GAACYP2C9CYP2C19KMT2A
SCHEMBL7436246 0.74 MME (0.40) ACEMME
SCHEMBL7439919 0.73 KMT2A (0.39) ALDH1A1KMT2ATSHRACEMEN1
SCHEMBL7435682 0.71 KMT2A (0.37) ALDH1A1KMT2AACEMEN1
SCHEMBL7425886 0.70 HSD11B1 (0.44) HSD11B1ALDH1A1GAATP53CYP3A4
SCHEMBL7432526 0.69 HSD11B1 (0.46) HSD11B1ALDH1A1GAATP53CYP3A4
SCHEMBL7434177 0.67 HSD11B1 (0.38) HSD11B1ALDH1A1GAATSHRCHRM1
SCHEMBL7437844 0.66 HSD11B1 (0.38) HSD11B1ALDH1A1GAATSHRCHRM1

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