SCHEMBL8562013

SCHEMBL8562013

O=[C]/C=C/c1ccccc1NC(=O)c1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 5/20 0.59
RAB9A P51151 3/20 0.55
KMT2A Q03164 2/20 0.52
TP53 P04637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HTT P42858 2/20 0.49
POLB P06746 1/20 0.47
JAK2 O60674 1/20 0.45
TYK2 P29597 1/20 0.45
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HDAC1 Q13547 1/20 0.45
KCNK3 O14649 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC2 Q92769 1/20 0.44
NPC1 O15118 2/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL7666647 0.88 SNCA (0.59) SNCARAB9AKMT2ATP53POLB
SCHEMBL8559221 0.85 HDAC1 (0.61) TP53HTTL3MBTL1KDM4EHDAC1
SCHEMBL6976656 0.81 SNCA (0.63) SNCARAB9AHTTGAAL3MBTL1
SCHEMBL27833525 0.80 SNCA (0.58) SNCARAB9AKMT2ATP53NPSR1
SCHEMBL7660277 0.77 GAA (0.43) SNCAPOLBGAAKDM4EHDAC1
SCHEMBL7663121 0.77 MAPK1 (0.53) RAB9AKMT2ANPSR1HSD17B10GAA
SCHEMBL7670435 0.76 SNCA (0.41) SNCARAB9AKMT2AHDAC1NPC1
SCHEMBL7659463 0.76 SNCA (0.41) SNCAHDAC1HDAC2
SCHEMBL6643468 0.76 CYP2C19 (0.54) SNCARAB9AKMT2AHSD17B10HTT
SCHEMBL11776962 0.75 RAB9A (0.62) RAB9AKMT2ATP53NPSR1HSD17B10

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