SCHEMBL8562208

SCHEMBL8562208

CS(=O)(=O)OCc1c(Cl)cc(Cl)c([N+](=O)[O-])c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 5/20 0.40
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
CYP19A1 P11511 3/20 0.34
VCAM1 P19320 7/20 0.33
GLP1R P43220 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL6961763 0.77 TDP1 (0.49) TSHRALDH1A1VCAM1POLBMAPT
SCHEMBL7902896 0.73 TDP1 (0.49) TSHRALDH1A1VCAM1POLBMAPT
SCHEMBL8567101 0.73 TSHR (0.53) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL6298851 0.72 CA1 (0.38) TSHRALDH1A1LMNA
SCHEMBL5042912 0.71 TSHR (0.73) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL13252204 0.70 IMPDH2 (0.34) TSHRALDH1A1
SCHEMBL7020172 0.69 HSD17B10 (0.50) ALDH1A1CYP19A1VCAM1MEN1LMNA
SCHEMBL4301275 0.68 VCAM1 (0.49) ALDH1A1VCAM1POLB
SCHEMBL5906064 0.68 TSHR (0.47) TSHRALDH1A1VCAM1LMNAPOLB
SCHEMBL5673054 0.68 HSD17B10 (0.49) ALDH1A1CYP19A1MEN1LMNAKMT2A

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