SCHEMBL14036550

SCHEMBL14036550

CCOc1cc(C)c(CN(C(=O)Nc2ccc(-c3cnn(C)c3)cc2)C2CC2)cc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.44
TP53 P04637 4/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ROCK2 O75116 1/20 0.40
WNT1 P04628 5/20 0.39
GSK3B P49841 5/20 0.39
DYRK1A Q13627 5/20 0.39
AAK1 Q2M2I8 1/20 0.39
UBE2M P61081 4/20 0.39
DCUN1D1 Q96GG9 4/20 0.39
DYRK3 O43781 1/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
DYRK2 Q92630 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK4 Q9NR20 1/20 0.37

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
SCHEMBL14036554 0.93 USP30 (0.44) USP30TP53MAPTSMN1; SMN2ROCK2
SCHEMBL14036547 0.85 USP30 (0.45) USP30TP53MAPTSMN1; SMN2ROCK2
SCHEMBL14036635 0.78 TP53 (0.39) TP53MAPTSMN1; SMN2AAK1UBE2M
SCHEMBL14036548 0.77 UBE2M (0.43) TP53MAPTSMN1; SMN2UBE2MDCUN1D1
SCHEMBL14036793 0.77 UBE2M (0.35) TP53MAPTSMN1; SMN2ROCK2UBE2M
SCHEMBL14036573 0.72 TP53 (0.41) TP53MAPTSMN1; SMN2AAK1UBE2M
SCHEMBL14036556 0.71 UBE2M (0.40) TP53MAPTROCK2UBE2MDCUN1D1
SCHEMBL23199996 0.70 USP30 (0.47) USP30TP53MAPTSMN1; SMN2ROCK2
SCHEMBL14036686 0.69 EP300 (0.38) MAPT
SCHEMBL14036808 0.68 PSEN1 (0.42) USP30TP53MAPTUBE2MDCUN1D1

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-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed