SCHEMBL7693236

SCHEMBL7693236

COc1ccc(C(=O)O)c(Cl)c1OC(C)Br

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 1/20 0.50
CLCN2 P51788 1/20 0.40
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
CDC25B P30305 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
PDE4D Q08499 2/20 0.36
MAPK1 P28482 1/20 0.36
TRPM4 Q8TD43 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
MYC P01106 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7696483 0.88 MAPT (0.40) TDP1MAPTALDH1A1KDM4EHPGD
SCHEMBL7690535 0.86 MAPT (0.38) TDP1MAPTALDH1A1KDM4EHPGD
SCHEMBL2817995 0.82 TDP1 (0.66) TDP1MAPTCLCN2ALDH1A1KDM4E
SCHEMBL30949565 0.76 TDP1 (0.55) TDP1MAPTCLCN2ALDH1A1KDM4E
SCHEMBL6931814 0.76 TDP1 (0.55) TDP1MAPTCLCN2ALDH1A1KDM4E
SCHEMBL7693240 0.75 MAPT (0.49) TDP1MAPTCLCN2ALDH1A1KDM4E
SCHEMBL28283707 0.74 TDP1 (0.50) TDP1MAPTCLCN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7696491 0.74 MAPT (0.48) TDP1MAPTCLCN2ALDH1A1KDM4E
SCHEMBL18529850 0.73 TDP1 (0.52) TDP1MAPTCLCN2ALDH1A1KDM4E
SCHEMBL27883374 0.73 MAPT (0.57) TDP1MAPTALDH1A1KDM4EHPGD

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
WO-2001053298-A9 IMIDAZOPYRIDINES AND RELATED AZACYCLIC DERIVATIVES AS SELECTIVE MODULATORS OF BRADYKININ B2 RECEPTORS NEUROGEN CORP (US) 2002-10-17 WO disclosed
US-6420365-B1 Imidazopyridines and related derivatives as selective modulators of bradykinin B2 receptors NEUROGEN CORPORATION 2002-07-16 US disclosed
WO-2001053298-A1 IMIDAZOPYRIDINES AND RELATED AZACYCLIC DERIVATIVES AS SELECTIVE MODULATORS OF BRADYKININ B2 RECEPTORS NEUROGEN CORPORATION (US) 2001-07-26 WO disclosed