SCHEMBL8564163

SCHEMBL8564163

COC(=O)c1cc(Br)c(COc2cccn3cc(C)nc23)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A2 O94788 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALDH1A3 P47895 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
GABRA5 P31644 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PPARG P37231 1/20 0.37

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
SCHEMBL8567739 0.82 CYP1A2 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8563086 0.81 BDKRB2 (0.52)
SCHEMBL8560026 0.78 VDR (0.41) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL8666464 0.76 BDKRB2 (0.40) ALDH1A1
SCHEMBL8814103 0.76 CYP3A4 (0.46) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL2191580 0.75 CYP3A4 (0.48) ALDH1A1POLBGAAPSEN1PSEN2
SCHEMBL11073074 0.75 CYP3A4 (0.60) ALDH1A1POLBPSEN1PSEN2APH1B
SCHEMBL8566849 0.74 PPARG (0.40) PPARG
SCHEMBL9747203 0.74 PSEN1 (0.43) ALDH1A1TSHRPSEN1PSEN2APH1B
SCHEMBL8561996 0.73 PPARG (0.46) 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 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