SCHEMBL8469872

SCHEMBL8469872

CC(C)Cc1cnc2c(c1)c(C1=CCN=C1)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.38
HTR6 P50406 8/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDPK1 O15530 1/20 0.34
PTPN11 Q06124 1/20 0.33
ALDH1A1 P00352 1/20 0.32
DRD2 P14416 2/20 0.32
HTR2A P28223 2/20 0.32
HTR7 P34969 2/20 0.32
HTR1A P08908 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL8470211 0.83 BRD4 (0.35) BRD4HTR6PDPK1PTPN11DRD2
SCHEMBL13505045 0.82 HTR6 (0.45) BRD4HTR6MEN1KMT2ADRD2
SCHEMBL3352661 0.81 PDPK1 (0.43) BRD4HTR6MEN1KMT2APDPK1
SCHEMBL13504975 0.80 BRD4 (0.38) BRD4HTR6PTPN11DRD2HTR2A
SCHEMBL13504982 0.78 BRD4 (0.36) BRD4HTR6PDPK1PTPN11DRD2
SCHEMBL8480893 0.78 BRD4 (0.38) BRD4HTR6MEN1KMT2APDPK1
SCHEMBL13538989 0.75 BRD4 (0.37) BRD4HTR6MEN1KMT2APDPK1
SCHEMBL13505027 0.74 PIK3CD (0.38) BRD4HTR6MEN1KMT2APDPK1
SCHEMBL3355006 0.73 PIK3CD (0.46) HTR6MEN1KMT2AALDH1A1
SCHEMBL3347328 0.72 HTR6 (0.38) BRD4HTR6MEN1KMT2APDPK1

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
EP-1749829-B1 JNK inhibitors EISAI R&D MAN CO LTD (JP) 2010-11-03 EP disclosed