SCHEMBL8567101

SCHEMBL8567101

O=[N+]([O-])c1c(Cl)cc(Cl)c(CO)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
ALDH1A1 P00352 5/20 0.48
GRIN2D O15399 6/20 0.38
GRIN3B O60391 6/20 0.38
GRIN1 Q05586 6/20 0.38
GRIN2A Q12879 6/20 0.38
GRIN2B Q13224 6/20 0.38
GRIN2C Q14957 6/20 0.38
GRIN3A Q8TCU5 6/20 0.38
GPR35 Q9HC97 2/20 0.35
VCAM1 P19320 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
HPGD P15428 2/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL5042912 0.80 TSHR (0.73) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL5921857 0.76 TSHR (0.74) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL31053020 0.75 TSHR (0.59) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL10917076 0.75 ALDH1A1 (0.59) TSHRALDH1A1GPR35VCAM1HSD17B10
SCHEMBL10980175 0.73 TSHR (0.63) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL28177204 0.73 GPR35 (0.50) TSHRALDH1A1GPR35VCAM1HPGD
SCHEMBL8562208 0.73 TSHR (0.43) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL38663877 0.71 TSHR (0.65) TSHRALDH1A1GRIN2DGRIN3BGRIN1
Tecnazene SCHEMBL64355 0.71 TSHR (1.00) TSHRALDH1A1GRIN2DGRIN3BGRIN1
Tecnazene SCHEMBL3014845 0.71 TSHR (1.00) TSHRALDH1A1GRIN2DGRIN3BGRIN1

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