SCHEMBL7693240

SCHEMBL7693240

COc1ccc(C(=O)O)c(Cl)c1OCCBr

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MRGPRX4 Q96LA9 2/20 0.43
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 2/20 0.42
PDE4D Q08499 5/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CLCN2 P51788 1/20 0.39
HPGD P15428 1/20 0.39
HPGDS O60760 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CDC25B P30305 1/20 0.38

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
Hydrochloric Acid SCHEMBL7696491 0.99 MAPT (0.48) MAPTTDP1MRGPRX4CNR2KDM4E
SCHEMBL7696487 0.89 MEN1 (0.40) MAPTTDP1PDE4DMEN1NPC1
SCHEMBL7690538 0.86 KMT2A (0.39) MAPTTDP1PDE4DMEN1NPC1
SCHEMBL2817995 0.81 TDP1 (0.66) MAPTTDP1MRGPRX4KDM4EPDE4D
SCHEMBL7693236 0.75 TDP1 (0.50) MAPTTDP1MRGPRX4KDM4EPDE4D
SCHEMBL6931814 0.74 TDP1 (0.55) MAPTTDP1MRGPRX4KDM4EMEN1
SCHEMBL30949565 0.74 TDP1 (0.55) MAPTTDP1MRGPRX4KDM4EMEN1
SCHEMBL28283707 0.73 TDP1 (0.50) MAPTTDP1MRGPRX4KDM4EALDH1A1
SCHEMBL18529850 0.72 TDP1 (0.52) MAPTTDP1MRGPRX4KDM4EMEN1
SCHEMBL8993574 0.72 ALDH1A1 (0.44) MAPTTDP1KDM4EKMT2AALDH1A1

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