SCHEMBL6640544

SCHEMBL6640544

Cc1cc(C(=O)O)c2cccc(OCc3ccccc3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.52
PDE10A Q9Y233 1/20 0.51
MRGPRX4 Q96LA9 4/20 0.50
FOLH1 Q04609 1/20 0.49
DHODH Q02127 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
SRD5A2 P31213 1/20 0.46
MCL1 Q07820 2/20 0.46
EDNRA P25101 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL6645842 0.88 CCR6 (0.52) MRGPRX4KDM4EMEN1KMT2A
SCHEMBL17502502 0.84 CD38 (0.46) PTGER1PDE10AKDM4E
SCHEMBL659166 0.83 MAPT (0.50) MRGPRX4MAPTMAPK1TDP1L3MBTL1
SCHEMBL6642612 0.82 MAPT (0.49) MRGPRX4MAPTMAPK1TDP1L3MBTL1
SCHEMBL9450684 0.81 ALDH1A1 (0.54) PTGER1FOLH1DHODHSRD5A2MCL1
SCHEMBL659328 0.81 MAPT (0.51) MAPTMAPK1TDP1L3MBTL1ADORA3
SCHEMBL6639484 0.80 MAPT (0.50) MRGPRX4MAPTMAPK1TDP1L3MBTL1
SCHEMBL658806 0.79 KDM4E (0.54) PDE10AMAPK1ADORA3ADORA2AADORA1
SCHEMBL6643771 0.79 L3MBTL1 (0.48) MAPTMAPK1TDP1L3MBTL1ADORA3
SCHEMBL4853505 0.78 CD38 (0.47) PDE10AKDM4EMEN1KMT2A

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-0807105-B1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2004-06-16 EP disclosed
US-5994368-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
EP-0807105-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 WO disclosed