SCHEMBL31087409

SCHEMBL31087409

CCOC(=O)c1nc(C)nnc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 2/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TLR9 Q9NR96 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
CYP1A2 P05177 2/20 0.42
TARBP2 Q15633 2/20 0.42
GLP1R P43220 1/20 0.42
CASP1 P29466 1/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 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
SCHEMBL29098614 1.00 MAPT (0.43) MAPTALDH1A1NPSR1NPC1TP53
SCHEMBL9590986 0.86 MAPT (0.45) MAPTALDH1A1NPSR1NPC1TP53
SCHEMBL2743309 0.82 ALDH1A1 (0.43) MAPTALDH1A1NPSR1NPC1TP53
SCHEMBL31289927 0.80 MEN1 (0.44) MAPTALDH1A1NPSR1NPC1TP53
SCHEMBL18137696 0.77 KDM5B (0.50) MAPTALDH1A1NPSR1NPC1TP53
SCHEMBL9423135 0.76 ALDH1A1 (0.44) MAPTALDH1A1NPSR1NPC1TP53
SCHEMBL8550931 0.76 ALDH1A1 (0.41) MAPTALDH1A1NPSR1NPC1TP53
SCHEMBL1705589 0.76 ALDH1A1 (0.41) MAPTALDH1A1NPSR1NPC1TP53
SCHEMBL16398391 0.75 ALDH1A1 (0.43) MAPTALDH1A1NPSR1NPC1TP53
SCHEMBL4336125 0.75 KDM5B (0.43) MAPTALDH1A1NPSR1NPC1TP53

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
CN-118541353-A Bis (hetero) aryl thioether (thio) amides as fungicidal compounds 拜耳公司 2024-08-23 CN disclosed