SCHEMBL7409763

SCHEMBL7409763

COc1nccc2cc(CCO)oc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.49
MTNR1A P48039 1/20 0.37
TNF P01375 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.35
HIF1A Q16665 2/20 0.35
EPAS1 Q99814 1/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32

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
SCHEMBL7019657 0.88 TLR8 (0.44) TLR8MTNR1ATNFHIF1AKDM4E
SCHEMBL7016987 0.83 TLR8 (0.49) TLR8MTNR1AHIF1AKDM4ERAB9A
SCHEMBL7017097 0.81 TLR8 (0.44) TLR8MTNR1AHIF1AKDM4ERAB9A
SCHEMBL11303560 0.74 LMNA (0.54) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL16650194 0.74 KDM4E (0.40) TLR8ABCG2KDM4ERAB9AALDH1A1
SCHEMBL16651640 0.72 TRPA1 (0.40) TLR8MTNR1AKDM4ERAB9AALDH1A1
SCHEMBL7019368 0.72 CCR1 (0.37) TLR8MTNR1ATNFKDM4ERAB9A
SCHEMBL16651306 0.72 ALDH1A1 (0.35) TLR8MTNR1ATNFKDM4ERAB9A
SCHEMBL7018733 0.72 MKNK1 (0.35) TLR8MTNR1AKDM4ERAB9AALDH1A1
SCHEMBL7013224 0.71 LMNA (0.57) MTNR1AKDM4ERAB9ANPC1ALDH1A1

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
EP-1086106-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE Darwin Discovery Limited (GB) 2001-03-28 EP disclosed
WO-1999064423-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE DARWIN DISCOVERY LIMITED (GB) 1999-12-16 WO disclosed