SCHEMBL5197239

SCHEMBL5197239

CC(C)n1sc(-c2ccccc2)c(NCCc2ccncc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.43
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
FES P07332 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
HTT P42858 3/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KCNH3 Q9ULD8 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 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
SCHEMBL5185609 0.88 ALDH1A1 (0.43) GSK3BMEN1KMT2AHTTSMN1; SMN2
SCHEMBL5184337 0.84 MAOA (0.42) MEN1KMT2AHTTGAALMNA
SCHEMBL5185824 0.79 NPBWR1 (0.43) MEN1KMT2AHTTGAAKDM4E
SCHEMBL3544822 0.79 TOP2A (0.42) MEN1KMT2AHTTGAAKDM4E
SCHEMBL17844226 0.78 MAPK1 (0.37) MEN1KMT2AHTTGAAKDM4E
SCHEMBL17844238 0.77 SMN1; SMN2 (0.43) MEN1KMT2AGAAKDM4ELMNA
SCHEMBL17844146 0.77 HTR1B (0.39) LMNASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL17844133 0.73 KDM6B (0.43) GSK3BMEN1KMT2AKDM6BKDM4C
SCHEMBL17844229 0.72 MEN1 (0.48) MEN1KMT2AHTTGAAKDM4E
SCHEMBL1996165 0.68 GSK3B (0.43) GSK3BADORA2AADORA1HTTGAA

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-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed