SCHEMBL11098136

SCHEMBL11098136

CCOC(=O)C(CNC(=O)CSC(=O)c1ccccc1)NC(=O)CSC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.54
KMT2A Q03164 7/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 1/20 0.45
MEN1 O00255 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
NPC1 O15118 2/20 0.41
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
PRNP P04156 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL15962938 0.85 GPR139 (0.59) GPR139KMT2AMAPTALDH1A1HTT
SCHEMBL6381157 0.84 GPR139 (0.58) GPR139KMT2AMAPTALDH1A1HTT
SCHEMBL11108039 0.83 GPR139 (0.52) GPR139KMT2AMAPTALDH1A1HTT
SCHEMBL17369074 0.82 GPR139 (0.60) GPR139KMT2AMAPTALDH1A1HTT
SCHEMBL8596105 0.75 GPR139 (0.56) GPR139KMT2AMAPTALDH1A1HTT
SCHEMBL11097673 0.75 GPR139 (0.63) GPR139KMT2AMAPTALDH1A1HTT
SCHEMBL2673046 0.74 CYP26A1 (0.48) GPR139KMT2AALDH1A1TP53MEN1
SCHEMBL8725848 0.74 GPR139 (0.56) GPR139KMT2AMAPTALDH1A1HTT
SCHEMBL9352752 0.74 GPR139 (0.56) GPR139KMT2AMAPTALDH1A1HTT
SCHEMBL11108513 0.73 PPID (0.50) KMT2AALDH1A1TP53MEN1L3MBTL1

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
US-4444690-A RADIOPHARMACEUTICALS FOR MAMMALIAN RENAL SYSTEMS UNIVERSITY PATENTS, INC. (US) 1984-04-24 US disclosed