SCHEMBL17844151

SCHEMBL17844151

CC(C)(C)n1sc(-c2ccccc2)c(NCCOc2cccc(OC(F)(F)F)c2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
CHRM5 P08912 3/20 0.36
DYRK1A Q13627 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
DHFR P00374 1/20 0.34
TRPC5 Q9UL62 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL17844247 0.88 HTR1B (0.39) KDM4E
SCHEMBL17844212 0.87 MTNR1A (0.42) KDM4E
SCHEMBL17844217 0.86 CXCR2 (0.36) PIM1DYRK1ATRPC5
SCHEMBL17844169 0.85 SCN9A (0.36) HDAC1HDAC2KDM4E
SCHEMBL17844232 0.85 DRD2 (0.44) HDAC1HDAC2KDM4E
SCHEMBL17844230 0.83 DRD2 (0.46) KDM4E
SCHEMBL5186747 0.81 PTPN2 (0.37) HDAC1HDAC2
SCHEMBL17844105 0.81 LTA4H (0.41) CHRM5KDM4E
SCHEMBL17844246 0.80 HCRTR1 (0.39) HDAC1HDAC2KDM4E
SCHEMBL5306584 0.78 NTRK1 (0.38) HDAC1HDAC2

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
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed