SCHEMBL1684933

SCHEMBL1684933

Cc1ccc(Nc2nc(-c3c(C)nc4cc(C)ccn34)cs2)cc1.Cc1ccn2c(-c3csc(Nc4cccc(O)c4)n3)c(C)nc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.74
APBA1 Q02410 2/20 0.74
KLF5 Q13887 1/20 0.74
KDM4E B2RXH2 8/20 0.66
MAPT P10636 8/20 0.66
ALDH1A1 P00352 6/20 0.66
LMNA P02545 6/20 0.66
GAA P10253 6/20 0.66
NPSR1 Q6W5P4 4/20 0.66
HTT P42858 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
NR2F2 P24468 1/20 0.66
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
HPGD P15428 3/20 0.64
ALOX12 P18054 3/20 0.64
PRKD3 O94806 1/20 0.63
MAP4K4 O95819 1/20 0.63
PIM1 P11309 1/20 0.63
RPS6KB1 P23443 1/20 0.63

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
SCHEMBL1684587 0.96 CACNA1B (0.79) CACNA1BAPBA1KLF5KDM4EMAPT
Bromide SCHEMBL18040686 0.95 CACNA1B (0.78) CACNA1BAPBA1KLF5KDM4EMAPT
SCHEMBL1684593 0.90 MAPT (0.73) CACNA1BAPBA1KLF5KDM4EMAPT
SCHEMBL1684431 0.89 PRKD3 (0.74) CACNA1BAPBA1KLF5KDM4EMAPT
SCHEMBL1684654 0.85 CACNA1B (1.00) CACNA1BAPBA1KLF5KDM4EMAPT
Bromide SCHEMBL18040712 0.84 CACNA1B (0.98) CACNA1BAPBA1KLF5KDM4EMAPT
SCHEMBL252991 0.83 ALDH1A1 (0.66) CACNA1BAPBA1KLF5KDM4EMAPT
SCHEMBL1684920 0.83 SYK (0.67) CACNA1BAPBA1KLF5KDM4EMAPT
SCHEMBL1684611 0.83 SYK (0.67) CACNA1BAPBA1KLF5KDM4EMAPT
SCHEMBL1684773 0.83 SYK (0.67) CACNA1BAPBA1KLF5KDM4EMAPT

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-2306836-A1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC Therapeutics, Inc. (US) 2011-04-13 EP claimed
WO-2010002985-A1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS, INC. (US) 2010-01-07 WO claimed