SCHEMBL8566374

SCHEMBL8566374

O=[C]CN(NC(=O)c1ccncc1)C(=O)/C=C/c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TRPM8 Q7Z2W7 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HDAC1 Q13547 2/20 0.39
KDM1A O60341 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1A1 P04798 1/20 0.39

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
SCHEMBL8566376 1.00 USP2 (0.45) USP2NPC1RAB9AL3MBTL1TRPM8
SCHEMBL7750101 0.91 NPC1 (0.46) NPC1RAB9AL3MBTL1TRPM8ALDH1A1
SCHEMBL7750096 0.91 NPC1 (0.46) NPC1RAB9AL3MBTL1TRPM8ALDH1A1
SCHEMBL8563544 0.87 ALDH1A1 (0.56) NPC1RAB9AALDH1A1CYP2C9CYP2C19
SCHEMBL8563549 0.87 ALDH1A1 (0.56) NPC1RAB9AALDH1A1CYP2C9CYP2C19
SCHEMBL7746460 0.82 NPC1 (0.51) NPC1RAB9AL3MBTL1TRPM8ALDH1A1
SCHEMBL7746456 0.82 NPC1 (0.51) NPC1RAB9AL3MBTL1TRPM8ALDH1A1
SCHEMBL7748142 0.80 MAPT (0.51) NPC1RAB9AL3MBTL1HTTALDH1A1
SCHEMBL7748138 0.80 MAPT (0.51) NPC1RAB9AL3MBTL1HTTALDH1A1
SCHEMBL7747853 0.80 NPC1 (0.47) NPC1L3MBTL1TRPM8HTTALDH1A1

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