SCHEMBL25779231

SCHEMBL25779231

O=C(O)c1cnsc1-c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.50
MKNK2 Q9HBH9 3/20 0.50
KMO O15229 2/20 0.47
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
APP P05067 1/20 0.44
GAA P10253 1/20 0.44
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2A6 P11509 3/20 0.44
CYP1A2 P05177 1/20 0.44
DHODH Q02127 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
PTPN1 P18031 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
GPR35 Q9HC97 1/20 0.42

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
SCHEMBL2116877 0.84 LDHA (0.45) ALDH1A1GAACYP1A2KDM4ELMNA
SCHEMBL25779232 0.81 ALDH1A1 (0.42) ALDH1A1L3MBTL1GAACYP3A4CYP1A2
SCHEMBL25779104 0.80 HCAR2 (0.42) MKNK1MKNK2ALDH1A1L3MBTL1HCAR2
SCHEMBL30335331 0.76 HTT (0.56) MKNK1MKNK2KMOALDH1A1L3MBTL1
SCHEMBL1173860 0.76 HTT (0.56) MKNK1MKNK2KMOALDH1A1L3MBTL1
SCHEMBL29504659 0.76 HTT (0.56) MKNK1MKNK2KMOALDH1A1L3MBTL1
SCHEMBL25778940 0.75 GPR35 (0.52) MKNK1MKNK2KMOALDH1A1APP
SCHEMBL3496622 0.74 MKNK1 (0.54) MKNK1MKNK2KMOALDH1A1L3MBTL1
SCHEMBL14564495 0.73 SMN1; SMN2 (0.46) ALDH1A1GAACYP1A2DHODHKDM4E
SCHEMBL25779222 0.73 DHODH (0.44) ALDH1A1L3MBTL1APPGAAHCAR3

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
WO-2023118434-A1 PESTICIDALLY ACTIVE AMIDE COMPOUNDS GLOBACHEM NV (BE) 2023-06-29 WO disclosed