SCHEMBL7436282

SCHEMBL7436282

O=C(O)C(Cc1ccccc1)N1C(=O)N(C(CS)Cc2ccccc2)C(=O)C1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
PKM P14618 1/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 2/20 0.41
AADAT Q8N5Z0 1/20 0.41
CPA3 P15088 1/20 0.40
FOLH1 Q04609 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
POLB P06746 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTPN7 P35236 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7436285 0.83 ALDH1A1 (0.42) ALDH1A1PKMGAAHSD17B10NPSR1
SCHEMBL7443198 0.81
SCHEMBL7445173 0.75 POLB (0.36) POLB
SCHEMBL7442303 0.73 ALDH1A1 (0.53) ALDH1A1PKMGAAHSD17B10NPSR1
SCHEMBL7441061 0.72 ALDH1A1 (0.41) ALDH1A1GAAHSD17B10KMT2APOLB
SCHEMBL7436747 0.71 RXFP1 (0.38)
SCHEMBL7439232 0.69 PLA2G10 (0.39)
SCHEMBL7436233 0.68 MME (0.39)
SCHEMBL7435792 0.68 MME (0.37)
SCHEMBL7434083 0.68 MME (0.38)

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