SCHEMBL6469996

SCHEMBL6469996

CSc1nccc(Cl)n1.CSc1nccc(I)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
GAA P10253 3/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GABRA1 P14867 1/20 0.36
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
RPS6KA5 O75582 1/20 0.34
CSNK1E P49674 1/20 0.33
CCNT1 O60563 1/20 0.31
CCNA2 P20248 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
SCHEMBL164463 0.89
SCHEMBL29693610 0.89
SCHEMBL18947 0.89
SCHEMBL3905049 0.75 MAPK14 (0.40) LMNAGAAHTTMEN1KMT2A
SCHEMBL12105468 0.71 POLB (0.46) LMNAGAAHTTMEN1KMT2A
SCHEMBL8199365 0.69
SCHEMBL29987888 0.68
SCHEMBL148439 0.68
SCHEMBL5576942 0.66 ALDH1A1 (0.44) LMNAGAAHTTMEN1KMT2A
SCHEMBL5913947 0.66 LMNA (0.38) LMNAGAAHTTMEN1KMT2A

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-1495002-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS Astrazeneca AB (SE) 2005-01-12 EP disclosed
WO-2003087057-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2003-10-23 WO disclosed