SCHEMBL8561634

SCHEMBL8561634

O=C(Nc1cccc(C(=O)NCc2cccnc2)c1)Oc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.60
TSHR P16473 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP1A2 P05177 1/20 0.55
NAMPT P43490 3/20 0.55
GAA P10253 1/20 0.53
ALDH1A1 P00352 3/20 0.53
USP2 O75604 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 3/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 2/20 0.52
MAPK1 P28482 1/20 0.51
NPC1 O15118 1/20 0.51

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
SCHEMBL8562559 0.81 CYP1A2 (0.55) EPHX1TSHRSMN1; SMN2CYP1A2NAMPT
SCHEMBL3430736 0.80 EPHX1 (0.79) EPHX1SMN1; SMN2CYP1A2NAMPTUSP2
SCHEMBL29881595 0.80 EPHX1 (0.79) EPHX1SMN1; SMN2CYP1A2NAMPTUSP2
SCHEMBL7605675 0.79 HTT (0.72) TSHRL3MBTL1SMN1; SMN2NAMPTALDH1A1
SCHEMBL3768797 0.79 CYP11B2 (0.61) TSHRL3MBTL1SMN1; SMN2NAMPTGAA
SCHEMBL1161997 0.79 NAMPT (0.75) NAMPTGAAALDH1A1USP2LMNA
SCHEMBL1928843 0.78 SMN1; SMN2 (0.65) EPHX1L3MBTL1SMN1; SMN2CYP1A2NAMPT
SCHEMBL6962290 0.77 CYP1A2 (0.65) SMN1; SMN2CYP1A2LMNAHTTNPC1
SCHEMBL5334343 0.77 MMP13 (0.79) TSHRL3MBTL1SMN1; SMN2CYP1A2GAA
SCHEMBL241619 0.76 NPC1 (0.63) L3MBTL1SMN1; SMN2CYP1A2NAMPTGAA

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