SCHEMBL5583777

SCHEMBL5583777

CCOc1ccc(Oc2ccc(NC(=O)c3nccc(OC)c3O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.60
SMN1; SMN2 Q16637 10/20 0.60
RAB9A P51151 10/20 0.60
TP53 P04637 6/20 0.60
ALDH1A1 P00352 3/20 0.60
PKM P14618 2/20 0.60
MAPT P10636 5/20 0.55
MAPK1 P28482 1/20 0.55
KDM4E B2RXH2 4/20 0.53
CYP1A2 P05177 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
GAA P10253 2/20 0.52
AHR P35869 1/20 0.52
ALOX15 P16050 1/20 0.52
MITF O75030 1/20 0.51
LMNA P02545 4/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.48
CFTR P13569 1/20 0.48

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
SCHEMBL5583812 0.96 NPC1 (0.64) NPC1SMN1; SMN2RAB9ATP53ALDH1A1
SCHEMBL5583655 0.90 RAB9A (0.53) NPC1SMN1; SMN2RAB9ATP53ALDH1A1
SCHEMBL5583670 0.88 KDR (0.55) NPC1SMN1; SMN2RAB9AALDH1A1MAPK1
SCHEMBL2237038 0.88 RAB9A (0.53) NPC1SMN1; SMN2RAB9ATP53ALDH1A1
SCHEMBL5583593 0.87 AXL (0.46) NPC1SMN1; SMN2RAB9ATP53ALDH1A1
SCHEMBL14284595 0.87 KDR (0.55) RAB9AKDM4EKMT2AMEN1ALOX15
SCHEMBL14284581 0.86 RAB9A (0.52) NPC1SMN1; SMN2RAB9ATP53ALDH1A1
SCHEMBL5584055 0.85 ABCC1 (0.53) NPC1SMN1; SMN2RAB9APKMMAPT
SCHEMBL5583850 0.85 KDR (0.50) SMN1; SMN2RAB9ATP53PKMMAPT
SCHEMBL5583638 0.85 AXL (0.44) NPC1SMN1; SMN2RAB9ATP53ALDH1A1

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