SCHEMBL5583640

SCHEMBL5583640

COc1ccnc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2Oc2ccc(C)cc2)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 1/20 0.51
AHR P35869 1/20 0.51
KDR P35968 3/20 0.47
PDGFRA P16234 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 1/20 0.43
MAPK9 P45984 1/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 3/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL5583615 0.97 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ALMNAAHR
SCHEMBL14284569 0.88 RAB9A (0.49) SMN1; SMN2NPC1RAB9ALMNAAHR
SCHEMBL5583728 0.88 KMT2A (0.56) SMN1; SMN2NPC1RAB9AKDRALDH1A1
SCHEMBL5583786 0.87 MAPT (0.45) SMN1; SMN2NPC1RAB9ALMNAAHR
SCHEMBL5583670 0.85 KDR (0.55) SMN1; SMN2NPC1RAB9ALMNAAHR
SCHEMBL14284570 0.84 PDGFRA (0.48) SMN1; SMN2NPC1RAB9ALMNAKDR
SCHEMBL5583779 0.82 KDR (0.52) SMN1; SMN2NPC1RAB9AKDRPDGFRA
SCHEMBL14284585 0.81 PYGL (0.52) SMN1; SMN2NPC1RAB9AKDRPDGFRA
SCHEMBL5584061 0.80 PARG (0.60) KDRPDGFRAMEN1KMT2AMAPK9
SCHEMBL5583664 0.80 KDR (0.45) KDRPDGFRAALDH1A1MEN1KMT2A

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