SCHEMBL7437652

SCHEMBL7437652

O=C(O)CC1C(=O)N(C(S)CCc2ccccc2)C(=O)N1C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
ACE P12821 10/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FKBP1A P62942 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
SCHEMBL7438308 0.89 KMT2A (0.39) KMT2AACEMEN1ALDH1A1FKBP1A
SCHEMBL7437645 0.80 ACE (0.41) KMT2AACEMEN1ALDH1A1TP53
SCHEMBL7432368 0.79 LMNA (0.43) KMT2AACEMEN1ALDH1A1CYP3A4
SCHEMBL7440462 0.74 ACE (0.45) ACE
SCHEMBL7439237 0.73 ACE (0.41) ACE
SCHEMBL7425893 0.72 KMT2A (0.44) KMT2AMEN1ALDH1A1TP53CYP3A4
SCHEMBL7432535 0.71 HSD11B1 (0.45) KMT2AMEN1ALDH1A1TP53CYP3A4
SCHEMBL7438304 0.70 ACE (0.40) KMT2AACEMEN1ALDH1A1CYP3A4
SCHEMBL7434183 0.70 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL7445427 0.69 ALDH1A1 (0.41) KMT2AACEMEN1ALDH1A1TSHR

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