SCHEMBL6846253

SCHEMBL6846253

NC(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
MCL1 Q07820 3/20 0.51
HPGD P15428 2/20 0.50
POLB P06746 2/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GSTO1 P78417 2/20 0.44
CCR1 P32246 1/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL8789596 0.86 MAPK1 (0.55) GAAMCL1HPGDPOLBTSHR
SCHEMBL6851806 0.82 ATM (0.47) GAAPOLBTSHRMAPK1HSD17B10
SCHEMBL9577232 0.80 GAA (0.69) GAAMCL1HPGDPOLBTSHR
SCHEMBL3717918 0.78 GAA (0.67) GAAMCL1HPGDPOLBTSHR
SCHEMBL6850445 0.77 MEP1B (0.62) TSHRALDH1A1
SCHEMBL28582158 0.77 GAA (0.57) GAAMCL1HPGDPOLBTSHR
SCHEMBL7598374 0.76 NPC1 (0.47) POLBALDH1A1
SCHEMBL4029646 0.76 WDR5 (0.48) GAAPOLBALDH1A1GSTO1
SCHEMBL9577219 0.76 GAA (0.73) GAAMCL1HPGDPOLBTSHR
SCHEMBL6850559 0.75 KAT6A (0.61)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 US disclosed