SCHEMBL3819790

SCHEMBL3819790

O=CC(Sc1ccc(Br)cc1)c1ccccc1Br

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTPN1 P18031 1/20 0.31
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
TERT O14746 1/20 0.31
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
PTPRC P08575 1/20 0.30

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
SCHEMBL18193010 0.90 IDO1 (0.35) LMNAHTTIDO1TDO2
SCHEMBL3818629 0.77 MEN1 (0.37) MEN1KMT2ASMN1; SMN2TERT
SCHEMBL9401207 0.68 NPC1 (0.34) LMNAMAPTHTTSMN1; SMN2NPSR1
SCHEMBL2559434 0.68 IDO1 (0.38) MEN1KMT2ALMNAMAPTHTT
SCHEMBL3817562 0.67 NPSR1 (0.42) MEN1KMT2ALMNAMAPTHTT
SCHEMBL21495057 0.66 IDO1 (0.37) HTTIDO1TDO2
SCHEMBL166469 0.66 IDO1 (0.37) HTTIDO1TDO2
SCHEMBL15142385 0.66 MME (0.43) MEN1KMT2AHTTNPSR1
SCHEMBL22445604 0.65 IDO1 (0.40) HTTIDO1TDO2
SCHEMBL9818286 0.65 HTT (0.42) LMNAHTTIDO1TDO2

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-2091527-A2 SULFIDE, SULFOXIDE AND SULFONE CHALCONE ANALOGUES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2009-08-26 EP disclosed
WO-2008076270-A2 SULFIDE, SULFOXIDE AND SULFONE CHALCONE ANALOGUES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-06-26 WO disclosed