SCHEMBL8562018

SCHEMBL8562018

O=C(/C=C/c1ccccc1)NC(=O)c1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MAPT P10636 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 2/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.51
L3MBTL1 Q9Y468 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
SCHEMBL7666658 0.89 MAPT (0.66) NPC1RAB9AMAPTTDP1ALDH1A1
SCHEMBL143083 0.89 MAPT (0.66) NPC1RAB9AMAPTTDP1ALDH1A1
SCHEMBL2996981 0.86 ALDH1A1 (0.72) NPC1RAB9ATDP1USP2ALDH1A1
SCHEMBL2996977 0.86 ALDH1A1 (0.72) NPC1RAB9ATDP1USP2ALDH1A1
SCHEMBL8559227 0.84 ALDH1A1 (0.78) NPC1RAB9AMAPTTDP1ALDH1A1
SCHEMBL2998871 0.80 ALDH1A1 (0.58) NPC1RAB9ATDP1USP2ALDH1A1
SCHEMBL2998874 0.80 ALDH1A1 (0.58) NPC1RAB9ATDP1USP2ALDH1A1
SCHEMBL4029206 0.79 HDAC2 (0.76) NPC1RAB9AMAPTTDP1ALDH1A1
SCHEMBL29060766 0.79 HDAC2 (0.76) NPC1RAB9AMAPTTDP1ALDH1A1
SCHEMBL10033954 0.78 CYP1B1 (0.75) NPC1RAB9AMAPTTDP1ALDH1A1

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 3 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
CN-1089947-A New heterogeneous ring compound FUJISAWA PHARMACEUTICAL CO (JP) 1994-07-27 CN disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 EP disclosed