SCHEMBL14036574

SCHEMBL14036574

COc1cc(NC(=O)N(Cc2cc(C)ccc2C)C2CC2)ccc1-n1cc(C)nn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.44
MAPT P10636 4/20 0.44
POLB P06746 2/20 0.40
DDX3X O00571 1/20 0.40
UBE2M P61081 7/20 0.38
DCUN1D1 Q96GG9 7/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ROCK2 O75116 1/20 0.36

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 0.88 TP53 (0.41) TP53MAPTPOLBDDX3XUBE2M
SCHEMBL14036560 0.87 TP53 (0.41) TP53MAPTPOLBDDX3XUBE2M
SCHEMBL14036636 0.87 TP53 (0.42) TP53MAPTPOLBDDX3XUBE2M
SCHEMBL14036635 0.85 TP53 (0.39) TP53MAPTPOLBDDX3XUBE2M
SCHEMBL14036632 0.84 TP53 (0.40) TP53MAPTPOLBDDX3XUBE2M
SCHEMBL14036571 0.76 TP53 (0.41) TP53MAPTPOLBUBE2MDCUN1D1
SCHEMBL14036575 0.75 DDX3X (0.40) MAPTPOLBDDX3XUSP2ALDH1A1
SCHEMBL14036683 0.73 PSEN1 (0.50) TP53MAPTPOLBUSP2ALDH1A1
SCHEMBL23200254 0.73 UBE2M (0.42) TP53MAPTPOLBDDX3XUBE2M
SCHEMBL14036695 0.70 PSEN1 (0.54) UBE2MDCUN1D1ROCK2

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