SCHEMBL14036635

SCHEMBL14036635

CCOc1cc(C)c(CN(C(=O)Nc2ccc(-n3cc(C)nn3)c(OC)c2)C2CC2)cc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DDX3X O00571 1/20 0.39
UBE2M P61081 10/20 0.39
DCUN1D1 Q96GG9 10/20 0.39
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL14036573 0.95 TP53 (0.41) TP53MAPTSMN1; SMN2DDX3XUBE2M
SCHEMBL14036632 0.88 TP53 (0.40) TP53MAPTSMN1; SMN2DDX3XUBE2M
SCHEMBL14036574 0.85 TP53 (0.44) TP53MAPTSMN1; SMN2DDX3XUBE2M
SCHEMBL14036636 0.84 TP53 (0.42) TP53MAPTSMN1; SMN2DDX3XUBE2M
SCHEMBL14036575 0.84 DDX3X (0.40) MAPTDDX3XPOLBLMNAAAK1
SCHEMBL14036560 0.83 TP53 (0.41) TP53MAPTSMN1; SMN2DDX3XUBE2M
SCHEMBL14036793 0.79 UBE2M (0.35) TP53MAPTSMN1; SMN2UBE2MDCUN1D1
SCHEMBL14036550 0.78 USP30 (0.44) TP53MAPTSMN1; SMN2UBE2MDCUN1D1
SCHEMBL14036554 0.76 USP30 (0.44) TP53MAPTSMN1; SMN2UBE2MDCUN1D1
SCHEMBL757334 0.74 PSEN1 (0.45) TP53

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