SCHEMBL5583688

SCHEMBL5583688

CCC(C)NC(=O)c1nccc(OC)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA2 P47869 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
STAT1 P42224 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
ERCC1 P07992 1/20 0.41
FEN1 P39748 1/20 0.41

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
SCHEMBL22636460 0.87 CTSA (0.47) MAPK1ALDH1A1KMT2AHTTL3MBTL1
SCHEMBL22636458 0.87 CTSA (0.47) MAPK1ALDH1A1KMT2AHTTL3MBTL1
SCHEMBL30129484 0.83 CTSA (0.39) MAPK1ALDH1A1MEN1KMT2AHTT
SCHEMBL23706478 0.83 TAS1R3 (0.37) MAPK1ALDH1A1MEN1KMT2AHTT
SCHEMBL25042352 0.83 TAS1R3 (0.37) MAPK1ALDH1A1MEN1KMT2AHTT
SCHEMBL23706479 0.83 TAS1R3 (0.37) MAPK1ALDH1A1MEN1KMT2AHTT
SCHEMBL30129515 0.83 TAS1R3 (0.37) MAPK1ALDH1A1MEN1KMT2AHTT
SCHEMBL20886342 0.82 CTSA (0.37) MAPK1MEN1KMT2AHTTL3MBTL1
SCHEMBL20876090 0.82 KDM4C (0.47) ALDH1A1L3MBTL1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL17892017 0.82 KDM4C (0.47) ALDH1A1L3MBTL1SMN1; SMN2TAS1R3TAS1R1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183278-B1 Picolinamide derivative and harmful organism control agent comprising said picolinamide derivative as active component MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-27 US disclosed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed