SCHEMBL8562016

SCHEMBL8562016

O=[C]C(=Cc1ccccc1)NC(=O)c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 2/20 0.50
USP2 O75604 1/20 0.50
GLA P06280 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTT P42858 1/20 0.47
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
EPHX1 P07099 1/20 0.44
JAK2 O60674 1/20 0.44
TYK2 P29597 1/20 0.44
KCNK3 O14649 1/20 0.43
GAA P10253 1/20 0.43
PLOD2 O00469 1/20 0.42
PLOD3 O60568 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL7666651 0.89 GLA (0.60) KMT2AMAPTLMNAGLANPSR1
SCHEMBL8559225 0.85 MAPT (0.54) KMT2AMAPTLMNAGLANPSR1
SCHEMBL6976661 0.78 NPC1 (0.54) KMT2AMAPTTDP1LMNAGLA
SCHEMBL7663124 0.75 RAB9A (0.52) KMT2AMAPTTDP1LMNANPSR1
SCHEMBL10962466 0.75 GLA (0.81) KMT2AMAPTLMNAGLANPSR1
SCHEMBL10962462 0.75 GLA (0.81) KMT2AMAPTLMNAGLANPSR1
SCHEMBL10962452 0.75 GLA (0.81) KMT2AMAPTLMNAGLANPSR1
SCHEMBL7670436 0.75 KMT2A (0.39) KMT2AMAPTTDP1GLANPSR1
SCHEMBL7659466 0.75 CES1 (0.39) KMT2AMAPTTDP1GLANPSR1
SCHEMBL7660280 0.74 MCL1 (0.46) KMT2AMAPTLMNAGLANPSR1

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 2 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
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 EP disclosed