SCHEMBL7196864

SCHEMBL7196864

Clc1ccc2c(c1)C(c1ccccc1Cl)SCCN2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
CASP1 P29466 1/20 0.61
CYP2C19 P33261 1/20 0.61
RECQL P46063 1/20 0.61
SLC8B1 Q6J4K2 1/20 0.61
GAA P10253 2/20 0.43
ALOX12 P18054 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
SLC6A3 Q01959 2/20 0.35
TRPM5 Q9NZQ8 1/20 0.35
SLC6A2 P23975 3/20 0.35
DRD2 P14416 1/20 0.33

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
SCHEMBL10929981 0.79 MAPT (0.77) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL31071906 0.76 TP53 (1.00) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL869274 0.76 TP53 (1.00) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL11262097 0.68 HTR2C (0.39) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL10926019 0.67 MAPT (0.60) MAPTTP53CYP1A2CYP2C9ALOX15
Hydrochloric Acid SCHEMBL11269902 0.67 HTR2C (0.38) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL11679676 0.65 PRCP (0.45) GAAALOX12HTR2AHTR2CTRPM5
SCHEMBL27288856 0.64 SMN1; SMN2 (0.51) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL10044117 0.64 TP53 (0.79) MAPTTP53CYP1A2CYP2C9ALOX15
Hydrochloric Acid SCHEMBL11852646 0.64 PRCP (0.44) GAAALOX12HTR2AHTR2CTRPM5

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-1322314-A2 TREATMENT OF DIABETES MELLITUS BY INHIBITION OF MITOCHONDRIAL CALCIUM/SODIUM ANTIPORTER MITOKOR (US) 2003-07-02 EP disclosed
WO-2002024204-A2 TREATMENT OF DIABETES MELLITUS BY INHIBITION OF MITOCHONDRIAL CALCIUM/SODIUM ANTIPORTER MITOKOR (US) 2002-03-28 WO disclosed