SCHEMBL5583833

SCHEMBL5583833

CC(C)Nc1ccc(Oc2ccc(N)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
TDP1 Q9NUW8 7/20 0.56
CYP3A4 P08684 3/20 0.56
TSHR P16473 2/20 0.56
TEAD4 Q15561 1/20 0.52
MAPT P10636 5/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
MAOA P21397 2/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPK1 P28482 2/20 0.47
HPGD P15428 1/20 0.47
NR4A1 P22736 1/20 0.47
MAOB P27338 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MITF O75030 1/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45

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
SCHEMBL3530110 0.89 TDP1 (0.54) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL475453 0.87 TDP1 (0.56) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL24611718 0.87 PARP10 (0.51) ALDH1A1TDP1CYP3A4TSHRTEAD4
Hydrogen Sulfide SCHEMBL8431365 0.85 TDP1 (0.54) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL8431367 0.85 TDP1 (0.54) ALDH1A1TDP1CYP3A4TSHRMAPT
Hydrochloric Acid SCHEMBL10534023 0.85 TDP1 (0.54) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL13302607 0.82 TDP1 (0.64) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL14586641 0.82 TEAD4 (0.48) ALDH1A1TDP1CYP3A4TSHRTEAD4
SCHEMBL21881748 0.81 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4TSHRTEAD4
SCHEMBL21480372 0.81 L3MBTL1 (0.65) ALDH1A1TDP1CYP3A4TSHRMAPT

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