SCHEMBL5583584

SCHEMBL5583584

CCC(C)c1cccc(C(C)CC)c1Oc1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.44
TSHR P16473 3/20 0.44
ALDH1A1 P00352 6/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MITF O75030 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
NLRP1 Q9C000 1/20 0.43
NOD2 Q9HC29 1/20 0.43
CYP3A4 P08684 2/20 0.42
MAOA P21397 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TEAD4 Q15561 1/20 0.40
KDM1A O60341 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.37

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
SCHEMBL14586630 0.85 HTR2A (0.44) TDP1TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL13788784 0.81 TSHR (0.40) TSHRALDH1A1MAPTGAAHPGD
SCHEMBL12355529 0.80 TSHR (0.39) TSHRALDH1A1MAPTGAAHPGD
SCHEMBL12347495 0.78 TSHR (0.38) TSHRALDH1A1MAPTGAAHPGD
SCHEMBL17660080 0.78 TDP1 (0.46) TDP1TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL13064207 0.76 TSHR (0.52) TSHRCYP3A4TP53
SCHEMBL6558453 0.75 ALDH1A1 (0.54) TDP1TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL29875775 0.73 NCOA1 (0.44) TDP1TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL28823511 0.73 NCOA1 (0.44) TDP1TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL19236577 0.72 TSHR (0.52) TSHRALDH1A1MAPTSMN1; SMN2MAPK1

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