SCHEMBL6645181

SCHEMBL6645181

Cc1ccc([N+](=O)[O-])c(C)c1CCl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TDP1 Q9NUW8 5/20 0.48
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 2/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.36

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
SCHEMBL10761199 0.85 TSHR (0.48) TSHRSMN1; SMN2TDP1ALDH1A1HSD17B10
SCHEMBL11741640 0.83 TSHR (0.50) TSHRSMN1; SMN2TDP1ALDH1A1HSD17B10
SCHEMBL5200620 0.81 TSHR (0.48) TSHRSMN1; SMN2TDP1ALDH1A1HSD17B10
SCHEMBL1584530 0.81 TSHR (0.48) TSHRSMN1; SMN2TDP1ALDH1A1HSD17B10
SCHEMBL27475187 0.79 TSHR (0.46) TSHRSMN1; SMN2TDP1ALDH1A1HSD17B10
SCHEMBL7317396 0.78 TSHR (0.58) TSHRSMN1; SMN2TDP1ALDH1A1HSD17B10
SCHEMBL7306832 0.77 ALDH1A1 (0.52) TSHRSMN1; SMN2TDP1ALDH1A1HSD17B10
SCHEMBL3192674 0.76 TSHR (0.65) TSHRSMN1; SMN2TDP1ALDH1A1HSD17B10
SCHEMBL11265192 0.75 TDP1 (0.41) TSHRSMN1; SMN2TDP1ALDH1A1HSD17B10
SCHEMBL9719281 0.75 TDP1 (0.71) TSHRSMN1; SMN2TDP1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807105-B1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2004-06-16 EP disclosed
EP-0861243-B1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-12 EP disclosed
US-6344462-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-05 US disclosed
US-6100284-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-08 US disclosed
US-6008229-A TREATING ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
US-5994368-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
EP-0861243-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-02 EP disclosed
EP-0807105-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 WO disclosed
US-4782055-A Imidazopyridine compounds useful in the treatment of ulcers FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-01 US disclosed
EP-0228006-A1 Imidazopyridine compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-07-08 EP disclosed