SCHEMBL18293238

SCHEMBL18293238

C=CC(=C)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
MAPT P10636 3/20 0.61
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 2/20 0.61
HTT P42858 2/20 0.61
KMT2A Q03164 2/20 0.61
TP53 P04637 2/20 0.61
HPGD P15428 1/20 0.61
TSHR P16473 1/20 0.61
APEX1 P27695 8/20 0.57
NPC1 O15118 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
USP2 O75604 2/20 0.54
POLB P06746 1/20 0.54
RECQL P46063 1/20 0.54
RAB9A P51151 1/20 0.54
BLM P54132 1/20 0.54
UHRF1 Q96T88 2/20 0.54
LMNA P02545 3/20 0.51
FABP4 P15090 1/20 0.50

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
SCHEMBL30407997 0.93 KDM4E (0.61) KDM4EMAPTALDH1A1MEN1HTT
SCHEMBL18285789 0.93 KDM4E (0.61) KDM4EMAPTALDH1A1MEN1HTT
SCHEMBL13832432 0.90 APEX1 (0.71) KDM4EMAPTALDH1A1MEN1HTT
SCHEMBL18293235 0.89 MAPT (0.48) KDM4EMAPTALDH1A1MEN1HTT
SCHEMBL13833818 0.88 KDM4E (0.80) KDM4EMAPTALDH1A1MEN1HTT
SCHEMBL20254192 0.87 KDM4E (0.55) KDM4EMAPTALDH1A1MEN1HTT
SCHEMBL18285909 0.86 MAPT (0.67) KDM4EMAPTALDH1A1MEN1HTT
SCHEMBL20248857 0.86 MAPT (0.71) KDM4EMAPTALDH1A1MEN1HTT
SCHEMBL13833859 0.86 APEX1 (0.68) KDM4EMAPTALDH1A1MEN1HTT
SCHEMBL13833776 0.86 MAPT (0.59) KDM4EMAPTALDH1A1MEN1HTT

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