SCHEMBL18293231

SCHEMBL18293231

CN1CCc2c(sc(N)c2-c2nc3cc(Br)ccc3s2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.48
MYC P01106 2/20 0.46
UHRF1 Q96T88 1/20 0.44
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ADORA1 P30542 2/20 0.39
RAD52 P43351 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL18286100 0.86 LMNA (0.46) APEX1MYCLMNATP53MEN1
SCHEMBL18285991 0.86 APEX1 (0.51) APEX1MYCUHRF1MEN1KMT2A
SCHEMBL18293244 0.84 DRD2 (0.41) APEX1MYCUHRF1LMNATP53
SCHEMBL3752414 0.84 APEX1 (0.66) APEX1MYCUHRF1LMNATP53
SCHEMBL20239978 0.83 MAPT (0.42) APEX1MYCUHRF1LMNATP53
SCHEMBL18293323 0.83 DRD2 (0.37) APEX1MYCTP53MEN1KMT2A
SCHEMBL18285856 0.80 ADORA1 (0.52) TP53MEN1KMT2AKDM4EMAPT
SCHEMBL25456029 0.78 ILK (0.36) MYCTP53MEN1KMT2AKDM4E
SCHEMBL18293225 0.78 APEX1 (0.46) APEX1MYCUHRF1GAAAPP
SCHEMBL18285809 0.77 MYC (0.39) APEX1MYCUHRF1LMNATP53

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