SCHEMBL7436708

SCHEMBL7436708

O=C1CN(N2CCCCC2)C(=O)N1C(CS)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 4/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CPA3 P15088 1/20 0.36
FOLH1 Q04609 1/20 0.36
ANPEP P15144 1/20 0.36
ALDH1A1 P00352 3/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 3/20 0.34
GAA P10253 1/20 0.34
MME P08473 3/20 0.34
ACE P12821 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL7444723 0.88 CPA3 (0.38) TSHRCPA3FOLH1ANPEPALDH1A1
SCHEMBL7432526 0.78 HSD11B1 (0.46) TSHRCYP3A4CYP2C19CPA3FOLH1
SCHEMBL7436715 0.78 SIGMAR1 (0.37) L3MBTL1GAAACEMEN1KMT2A
SCHEMBL7432640 0.76 ENPP2 (0.47) L3MBTL1TSHRCYP2C19CYP2D6CPA3
SCHEMBL7425886 0.76 HSD11B1 (0.44) TSHRCYP3A4CYP2C19CPA3FOLH1
SCHEMBL7435805 0.74 CPA3 (0.38) CPA3FOLH1ANPEPALDH1A1PKM
SCHEMBL7426791 0.74 CPA3 (0.38) L3MBTL1CPA3FOLH1ANPEPALDH1A1
SCHEMBL7440464 0.74 FOLH1 (0.41) CPA3FOLH1ALDH1A1PKMHPGD
SCHEMBL7428787 0.73 KMT2A (0.45) CYP2C19CYP2D6CPA3FOLH1ALDH1A1
SCHEMBL7440259 0.73 CPA3 (0.37) L3MBTL1CPA3FOLH1ANPEPALDH1A1

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