SCHEMBL8564104

SCHEMBL8564104

Cc1cn2cccc(OCc3c(Cl)cccc3[N+](=O)[O-])c2n1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL8566749 0.89 PPARG (0.40) PPARG
SCHEMBL8562316 0.87 HSD11B1 (0.46) PPARG
SCHEMBL10672923 0.83 HTR1A (0.44) LMNAMAPTPKMRAB9AALDH1A1
SCHEMBL8562786 0.82 PPARG (0.40) LMNAMAPTPKMRAB9APPARG
SCHEMBL8561187 0.81 KMT2A (0.42) ALDH1A1PPARG
SCHEMBL9076921 0.81 PPARG (0.41) PPARG
SCHEMBL8563420 0.80 PPARG (0.46) PPARG
SCHEMBL8560717 0.80
SCHEMBL8566987 0.79 LMNA (0.47) LMNAMAPTPKMRAB9AKDM4E
SCHEMBL8561996 0.78 PPARG (0.46) RAB9AKDM4EALDH1A1PPARG

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 4 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-5750699-A HALOGENATING OF CORRESPONDING COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US 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