SCHEMBL18293129

SCHEMBL18293129

CCC(C)NCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C)C2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 9/20 0.71
LMNA P02545 3/20 0.68
TP53 P04637 2/20 0.68
RXFP1 Q9HBX9 1/20 0.64
UHRF1 Q96T88 1/20 0.64
KDM4E B2RXH2 3/20 0.62
MAPT P10636 3/20 0.62
NPC1 O15118 2/20 0.62
ALDH1A1 P00352 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
USP2 O75604 2/20 0.60
MEN1 O00255 2/20 0.60
HTT P42858 2/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 1/20 0.60
RECQL P46063 1/20 0.60
RAB9A P51151 1/20 0.60
BLM P54132 1/20 0.60
MYC P01106 1/20 0.56
ATM Q13315 1/20 0.54

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
SCHEMBL18295751 0.91 LMNA (0.69) APEX1LMNATP53RXFP1UHRF1
SCHEMBL18293139 0.91 APEX1 (0.79) APEX1LMNATP53RXFP1UHRF1
SCHEMBL18293141 0.91 APEX1 (0.79) APEX1LMNATP53RXFP1UHRF1
SCHEMBL18285733 0.91 APEX1 (0.79) APEX1LMNATP53RXFP1UHRF1
SCHEMBL18285777 0.91 KDM4E (0.67) APEX1LMNATP53RXFP1UHRF1
SCHEMBL18285774 0.91 KDM4E (0.67) APEX1LMNATP53RXFP1UHRF1
SCHEMBL18285796 0.91 KDM4E (0.67) APEX1LMNATP53RXFP1UHRF1
SCHEMBL18286098 0.89 APEX1 (0.62) APEX1LMNATP53RXFP1UHRF1
SCHEMBL18286097 0.89 APEX1 (0.62) APEX1LMNATP53RXFP1UHRF1
SCHEMBL18286057 0.87 APEX1 (0.60) APEX1LMNATP53RXFP1UHRF1

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