SCHEMBL8559050

SCHEMBL8559050

Cc1cn2cccc(OC(C)c3c(Cl)cccc3Cl)c2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.36
ALDH1A1 P00352 4/20 0.36
RAB9A P51151 4/20 0.36
KDM4E B2RXH2 3/20 0.36
PKM P14618 1/20 0.36
PDE10A Q9Y233 1/20 0.35
MET P08581 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
JAK2 O60674 1/20 0.34
TP53 P04637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34

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
SCHEMBL9748669 0.80 HTR6 (0.40) NPC1ALDH1A1RAB9AKDM4EPSEN1
SCHEMBL10426160 0.75 PDE10A (0.56) NPC1ALDH1A1RAB9AKDM4EPKM
SCHEMBL8562316 0.75 HSD11B1 (0.46) PPARG
SCHEMBL8562551 0.75
SCHEMBL8567203 0.73 PPARG (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14679593 0.73 PSEN1 (0.50) NPC1ALDH1A1RAB9AKDM4EPDE10A
Hydrochloric Acid SCHEMBL8666418 0.72 MAPT (0.35) PKMTP53HSD17B10
SCHEMBL9747708 0.72 PPARG (0.44) ALDH1A1KDM4EPSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL8670170 0.71 MAPT (0.34)
SCHEMBL8561187 0.71 KMT2A (0.42) ALDH1A1PPARG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0596406-B1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1998-12-16 EP disclosed
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 US disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 EP disclosed