SCHEMBL5583578

SCHEMBL5583578

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.53
TP53 P04637 2/20 0.53
NR1I2 O75469 1/20 0.48
DHODH Q02127 1/20 0.48
KDR P35968 2/20 0.47
HDAC3 O15379 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NR1H4 Q96RI1 2/20 0.46
TRPV1 Q8NER1 3/20 0.45
NAMPT P43490 1/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 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
SCHEMBL5583850 0.94 KDR (0.50) SMN1; SMN2MAPTTP53NR1I2DHODH
SCHEMBL5583752 0.89 MAPT (0.57) MAPTKDRTRPV1NPC1RAB9A
SCHEMBL5584058 0.89 NR1I2 (0.50) SMN1; SMN2MAPTTP53NR1I2KDR
SCHEMBL5583713 0.86 KDR (0.46) SMN1; SMN2MAPTTP53NR1I2KDR
SCHEMBL5583684 0.85 KDM4E (0.55) SMN1; SMN2MAPTKDRLMNANPC1
SCHEMBL5583759 0.85 KDR (0.47) SMN1; SMN2MAPTTP53NR1I2KDR
SCHEMBL5583595 0.85 KLKB1 (0.48) SMN1; SMN2MAPTTP53KDRNR1H4
SCHEMBL5583672 0.84 SCN9A (0.54) SMN1; SMN2MAPTKDRHDAC8HDAC6
SCHEMBL5583581 0.84 KDR (0.49) SMN1; SMN2MAPTKDRNPC1RAB9A
SCHEMBL5583719 0.84 NPC1 (0.53) SMN1; SMN2MAPTKDRLMNANPC1

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