SCHEMBL5583595

SCHEMBL5583595

COc1ccnc(C(=O)Nc2ccc(CC(C)(C)C)cc2)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.48
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
NR1H4 Q96RI1 2/20 0.41
KLK1 P06870 1/20 0.40
KLK5 Q9Y337 1/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL5583578 0.85 SMN1; SMN2 (0.53) LMNASMN1; SMN2MAPTRAB9ANPC1
SCHEMBL5583817 0.84 MAPT (0.56) KLKB1LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL5583684 0.83 KDM4E (0.55) LMNASMN1; SMN2MAPTRAB9ANPC1
SCHEMBL5583581 0.82 KDR (0.49) KLKB1SMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL5583672 0.82 SCN9A (0.54) SMN1; SMN2MAPTALDH1A1RAB9ANPC1
SCHEMBL5583719 0.82 NPC1 (0.53) LMNASMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL5583752 0.81 MAPT (0.57) MAPTRAB9ANPC1KDR
SCHEMBL5583812 0.81 NPC1 (0.64) LMNASMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL5583850 0.80 KDR (0.50) LMNASMN1; SMN2MAPTRAB9ATP53
SCHEMBL5583655 0.80 RAB9A (0.53) LMNASMN1; SMN2MAPTALDH1A1RAB9A

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