SCHEMBL18293291

SCHEMBL18293291

CC(C)(C)OC(=O)N1CCc2c(sc(NC(=O)CCN[C@H]3CC4CN(C(=O)OC(C)(C)C)C[C@H]4C3)c2-c2nc3ccccc3s2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 2/20 0.58
NPC1 O15118 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TP53 P04637 2/20 0.54
MEN1 O00255 2/20 0.54
HTT P42858 2/20 0.54
KMT2A Q03164 2/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
APEX1 P27695 9/20 0.52
LMNA P02545 3/20 0.49
UHRF1 Q96T88 1/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48
RAB9A P51151 1/20 0.48
BLM P54132 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL20254258 1.00 MAPT (0.58) MAPTKDM4EALDH1A1NPC1NPSR1
SCHEMBL20239938 1.00 MAPT (0.58) MAPTKDM4EALDH1A1NPC1NPSR1
SCHEMBL20239939 1.00 MAPT (0.58) MAPTKDM4EALDH1A1NPC1NPSR1
SCHEMBL22449466 0.97 MAPT (0.56) MAPTKDM4EALDH1A1NPC1NPSR1
SCHEMBL22449467 0.97 MAPT (0.56) MAPTKDM4EALDH1A1NPC1NPSR1
SCHEMBL20240042 0.91 MAPT (0.47) MAPTKDM4EALDH1A1NPC1NPSR1
SCHEMBL30406967 0.91 MAPT (0.47) MAPTKDM4EALDH1A1NPC1NPSR1
SCHEMBL18293293 0.91 MAPT (0.47) MAPTKDM4EALDH1A1NPC1NPSR1
SCHEMBL20240041 0.91 MAPT (0.47) MAPTKDM4EALDH1A1NPC1NPSR1
SCHEMBL18293233 0.88 MYC (0.47) MAPTKDM4EALDH1A1NPC1NPSR1

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-2016197078-A1 COMPOUNDS FOR THE MODULATION OF MYC ACTIVITY SYROS PHARMACEUTICALS, INC. (US) 2016-12-08 WO disclosed