SCHEMBL14036554

SCHEMBL14036554

COc1cc(C)c(CN(C(=O)Nc2ccc(-c3cnn(C)c3)cc2)C2CC2)cc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.44
ROCK2 O75116 1/20 0.44
AAK1 Q2M2I8 1/20 0.43
TP53 P04637 5/20 0.42
MAPT P10636 2/20 0.42
UBE2M P61081 8/20 0.42
DCUN1D1 Q96GG9 8/20 0.42
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
WNT1 P04628 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL14036550 0.93 USP30 (0.44) USP30ROCK2AAK1TP53MAPT
SCHEMBL14036547 0.85 USP30 (0.45) USP30ROCK2TP53MAPTUBE2M
SCHEMBL14036573 0.78 TP53 (0.41) AAK1TP53MAPTUBE2MDCUN1D1
SCHEMBL14036556 0.78 UBE2M (0.40) ROCK2TP53MAPTUBE2MDCUN1D1
SCHEMBL14036635 0.76 TP53 (0.39) AAK1TP53MAPTUBE2MDCUN1D1
SCHEMBL14036793 0.75 UBE2M (0.35) ROCK2TP53MAPTUBE2MDCUN1D1
SCHEMBL14036808 0.72 PSEN1 (0.42) USP30TP53MAPTUBE2MDCUN1D1
SCHEMBL14036548 0.71 UBE2M (0.43) TP53MAPTUBE2MDCUN1D1SMN1; SMN2
SCHEMBL14036632 0.70 TP53 (0.40) AAK1TP53MAPTUBE2MDCUN1D1
SCHEMBL23199996 0.70 USP30 (0.47) USP30ROCK2TP53MAPTUBE2M

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