SCHEMBL14036636

SCHEMBL14036636

COc1cc(NC(=O)N(Cc2cc(N3CCCC3)c(C)cc2C)C2CC2)ccc1-n1cc(C)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
DDX3X O00571 1/20 0.37
UBE2M P61081 7/20 0.37
DCUN1D1 Q96GG9 7/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL14036632 0.89 TP53 (0.40) TP53MAPTPOLBSMN1; SMN2DDX3X
SCHEMBL14036574 0.87 TP53 (0.44) TP53MAPTPOLBSMN1; SMN2DDX3X
SCHEMBL14036573 0.85 TP53 (0.41) TP53MAPTPOLBSMN1; SMN2DDX3X
SCHEMBL14036560 0.85 TP53 (0.41) TP53MAPTPOLBSMN1; SMN2DDX3X
SCHEMBL14036635 0.84 TP53 (0.39) TP53MAPTPOLBSMN1; SMN2DDX3X
SCHEMBL14036575 0.73 DDX3X (0.40) MAPTPOLBDDX3XUSP2ALDH1A1
SCHEMBL14036683 0.71 PSEN1 (0.50) TP53MAPTPOLBUSP2ALDH1A1
SCHEMBL23200254 0.71 UBE2M (0.42) TP53MAPTPOLBDDX3XUBE2M
SCHEMBL14036695 0.67 PSEN1 (0.54) UBE2MDCUN1D1
SCHEMBL14036631 0.64 MAPK1 (0.42) POLBSMN1; SMN2DDX3XKDM4EUSP2

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