SCHEMBL16112288

SCHEMBL16112288

CCOC(=O)c1cc(-c2ccccc2Cc2ccccc2)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.54
ALPL P05186 3/20 0.53
MAPT P10636 5/20 0.53
TP53 P04637 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 2/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46

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
SCHEMBL16111837 0.85 ALPL (0.60) HPGDSALPLMAPTTP53CASP3
SCHEMBL25126406 0.81 PLA2G10 (0.48) ALPLMAPTTP53KMT2AGAA
SCHEMBL25409779 0.80 ALPL (0.57) HPGDSALPLMAPTTP53CASP3
SCHEMBL16112173 0.80 HPGDS (0.59) HPGDSALPLMAPTTP53CASP3
SCHEMBL595997 0.79 ALPL (0.75) HPGDSALPLMAPTTP53CASP3
SCHEMBL18187534 0.79 MAPT (0.62) HPGDSALPLMAPTTP53CASP3
SCHEMBL31461711 0.76 MAPT (0.67) HPGDSALPLMAPTTP53CASP3
SCHEMBL7911349 0.76 HPGDS (0.53) HPGDSALPLMAPTTP53CASP3
SCHEMBL16730821 0.75 MAPT (0.69) HPGDSALPLMAPTTP53CASP3
SCHEMBL13710322 0.75 MAPT (0.69) HPGDSALPLMAPTTP53CASP3

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-2014159214-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-10-02 WO disclosed