SCHEMBL5583642

SCHEMBL5583642

CC(C)(C)c1cc(Oc2ccc(N)cc2)cc(C(C)(C)C)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.74
MAPT P10636 5/20 0.74
RAB9A P51151 4/20 0.74
NPC1 O15118 3/20 0.74
MAPK1 P28482 3/20 0.74
HPGD P15428 1/20 0.74
SMN1; SMN2 Q16637 3/20 0.59
TDP1 Q9NUW8 4/20 0.56
CYP3A4 P08684 2/20 0.56
TSHR P16473 1/20 0.56
TEAD4 Q15561 1/20 0.52
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MITF O75030 1/20 0.50
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
NLRP1 Q9C000 1/20 0.50
NOD2 Q9HC29 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL554687 0.85 ALDH1A1 (1.00) ALDH1A1MAPTRAB9ANPC1MAPK1
SCHEMBL1284070 0.83 ALDH1A1 (0.67) ALDH1A1MAPTRAB9ANPC1MAPK1
SCHEMBL14586635 0.82 TSHR (0.50) ALDH1A1MAPTRAB9ANPC1MAPK1
SCHEMBL11610464 0.80 MAPT (0.47) ALDH1A1MAPTRAB9ANPC1MAPK1
SCHEMBL11748713 0.80 NPC1 (0.47) ALDH1A1MAPTRAB9ANPC1MAPK1
SCHEMBL11754551 0.80 MAPT (0.47) ALDH1A1MAPTRAB9ANPC1MAPK1
SCHEMBL1284319 0.80 ALDH1A1 (0.56) ALDH1A1MAPTRAB9ANPC1MAPK1
SCHEMBL4985761 0.80 ALDH1A1 (0.88) ALDH1A1MAPTRAB9ANPC1MAPK1
SCHEMBL28205681 0.79 ALDH1A1 (0.61) ALDH1A1MAPTRAB9ANPC1MAPK1
SCHEMBL8056195 0.78 ALDH1A1 (0.63) ALDH1A1MAPTRAB9ANPC1MAPK1

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