SCHEMBL14036573

SCHEMBL14036573

COc1cc(C)c(CN(C(=O)Nc2ccc(-n3cc(C)nn3)c(OC)c2)C2CC2)cc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.41
MAPT P10636 3/20 0.41
DDX3X O00571 1/20 0.41
UBE2M P61081 9/20 0.39
DCUN1D1 Q96GG9 9/20 0.39
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KLKB1 P03952 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
SCHEMBL14036635 0.95 TP53 (0.39) TP53MAPTDDX3XUBE2MDCUN1D1
SCHEMBL14036632 0.91 TP53 (0.40) TP53MAPTDDX3XUBE2MDCUN1D1
SCHEMBL14036575 0.88 DDX3X (0.40) MAPTDDX3XPOLBUSP2ALDH1A1
SCHEMBL14036574 0.88 TP53 (0.44) TP53MAPTDDX3XUBE2MDCUN1D1
SCHEMBL14036636 0.85 TP53 (0.42) TP53MAPTDDX3XUBE2MDCUN1D1
SCHEMBL14036560 0.85 TP53 (0.41) TP53MAPTDDX3XUBE2MDCUN1D1
SCHEMBL14036554 0.78 USP30 (0.44) TP53MAPTUBE2MDCUN1D1POLB
SCHEMBL14036556 0.78 UBE2M (0.40) TP53MAPTUBE2MDCUN1D1POLB
SCHEMBL14036808 0.75 PSEN1 (0.42) TP53MAPTUBE2MDCUN1D1
SCHEMBL14036793 0.73 UBE2M (0.35) TP53MAPTUBE2MDCUN1D1POLB

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