SCHEMBL23378641

SCHEMBL23378641

O=Cc1csc(C2CCCNCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.40
BAZ2A Q9UIF9 3/20 0.40
AOC3 Q16853 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
PARP1 P09874 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PLAT P00750 1/20 0.31
HTR2B P41595 1/20 0.31
GABRA1 P14867 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE7A Q13946 1/20 0.31
PLG P00747 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL491234 0.94 HPGDS (0.44) HPGDSBAZ2AAOC3MEN1KMT2A
Hydrochloric Acid SCHEMBL29756 0.92 HPGDS (0.43) HPGDSBAZ2AAOC3MEN1KMT2A
Hydrochloric Acid SCHEMBL15717196 0.92 HPGDS (0.43) HPGDSBAZ2AAOC3MEN1KMT2A
Trifluoroacetic Acid SCHEMBL18978992 0.82 AOC3 (0.42) HPGDSBAZ2AAOC3MEN1KMT2A
SCHEMBL1064089 0.82 HTR2B (0.39) HPGDSBAZ2AHTR2BMAPT
SCHEMBL3687239 0.78 HPGDS (0.44) HPGDSBAZ2AAOC3MEN1KMT2A
SCHEMBL28286986 0.77 BAZ2A (0.40) BAZ2AHTR2BMAPT
SCHEMBL3555706 0.76 HTR2B (0.35) HTR2BMAPT
SCHEMBL3572530 0.74 HTR2B (0.33) HTR2BMAPT
SCHEMBL15747122 0.73 HTR2B (0.33) HTR2BMAPT

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-2021094905-A1 1 -(4-(4-(5-PHENYL-4,5-DIHYDROISOXAZOL-3-YL)THIAZOL-2-YL)PIPERIDIN-1 -YL)-ETHAN-1 -ONE DERIVATIVES AND RELATED COMPOUNDS AS FUNGICIDES FOR CROP PROTECTION PI INDUSTRIES LTD. (IN) 2021-05-20 WO disclosed