SCHEMBL18293199

SCHEMBL18293199

CC(C)NCCC(=O)Nc1sc2c(c1-c1nc3cc(Br)ccc3s1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
FABP4 P15090 1/20 0.48
FABP5 Q01469 1/20 0.48
APEX1 P27695 8/20 0.48
MEN1 O00255 2/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
BLM P54132 1/20 0.44
MYC P01106 3/20 0.43

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
SCHEMBL18293160 0.94 MAPT (0.50) MAPTKDM4EALDH1A1NPC1NPSR1
SCHEMBL18293092 0.94 MAPT (0.50) MAPTKDM4EALDH1A1NPC1NPSR1
SCHEMBL18293173 0.91 MAPT (0.52) MAPTKDM4EALDH1A1NPC1NPSR1
SCHEMBL18285767 0.90 KDM4E (0.62) MAPTKDM4EALDH1A1NPC1NPSR1
SCHEMBL30408128 0.90 MAPT (0.48) MAPTKDM4EALDH1A1NPC1NPSR1
SCHEMBL18293171 0.90 MAPT (0.48) MAPTKDM4EALDH1A1NPC1NPSR1
SCHEMBL18293112 0.89 MAPT (0.48) MAPTKDM4EALDH1A1NPC1NPSR1
SCHEMBL18293201 0.89 MAPT (0.48) MAPTKDM4EALDH1A1NPC1NPSR1
SCHEMBL18286046 0.89 MAPT (0.49) MAPTKDM4EALDH1A1NPC1NPSR1
SCHEMBL18293316 0.89 MAPT (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