SCHEMBL5583756

SCHEMBL5583756

COc1cc(Oc2ccc(C)cc2)ccc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.63
CYP3A4 P08684 3/20 0.63
AR P10275 3/20 0.58
TEAD4 Q15561 1/20 0.53
TDP1 Q9NUW8 3/20 0.52
MAPT P10636 3/20 0.52
HSD17B10 Q99714 2/20 0.52
POLB P06746 1/20 0.52
TSHR P16473 1/20 0.52
NR4A1 P22736 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ACHE P22303 1/20 0.45
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL272888 0.90 ALDH1A1 (0.76) ALDH1A1CYP3A4ARTDP1MAPT
SCHEMBL5583654 0.89 TEAD4 (0.57) ALDH1A1CYP3A4ARTEAD4TDP1
SCHEMBL12594105 0.87 ALDH1A1 (0.66) ALDH1A1CYP3A4TEAD4TDP1MAPT
SCHEMBL31457280 0.87 ALDH1A1 (0.66) ALDH1A1CYP3A4TEAD4TDP1MAPT
SCHEMBL30368 0.86 ALDH1A1 (0.70) ALDH1A1CYP3A4ARTDP1MAPT
SCHEMBL29764021 0.86 ALDH1A1 (0.70) ALDH1A1CYP3A4ARTDP1MAPT
SCHEMBL5312459 0.85 ALDH1A1 (0.63) ALDH1A1CYP3A4TDP1MAPTHSD17B10
SCHEMBL31521994 0.84 ALDH1A1 (0.61) ALDH1A1CYP3A4ARTDP1MAPT
SCHEMBL11218464 0.84 ALDH1A1 (0.61) ALDH1A1CYP3A4ARTDP1MAPT
SCHEMBL9517940 0.83 ALDH1A1 (0.66) ALDH1A1CYP3A4ARTDP1MAPT

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