SCHEMBL18293235

SCHEMBL18293235

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
HTT P42858 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 2/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
FABP4 P15090 1/20 0.48
FABP5 Q01469 1/20 0.48
NPC1 O15118 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
APEX1 P27695 6/20 0.44
MKNK1 Q9BUB5 2/20 0.44
MYC P01106 2/20 0.43
UHRF1 Q96T88 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL30407904 0.95 MAPT (0.49) MAPTKDM4EALDH1A1MEN1HTT
SCHEMBL18286111 0.95 MAPT (0.49) MAPTKDM4EALDH1A1MEN1HTT
SCHEMBL18286066 0.91 APEX1 (0.55) MAPTKDM4EALDH1A1MEN1HTT
SCHEMBL18286079 0.89 MAPT (0.48) MAPTKDM4EALDH1A1MEN1HTT
SCHEMBL18293238 0.89 KDM4E (0.61) MAPTKDM4EALDH1A1MEN1HTT
SCHEMBL30407995 0.86 FABP4 (0.51) MAPTKDM4EALDH1A1MEN1HTT
SCHEMBL18286043 0.86 FABP4 (0.51) MAPTKDM4EALDH1A1MEN1HTT
SCHEMBL18285845 0.85 MAPT (0.49) MAPTKDM4EALDH1A1MEN1HTT
SCHEMBL18293173 0.84 MAPT (0.52) MAPTKDM4EALDH1A1MEN1HTT
SCHEMBL31166083 0.84 MAPT (0.51) MAPTKDM4EALDH1A1MEN1HTT

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