SCHEMBL2587984

SCHEMBL2587984

Cc1ccc(N=C2SCC(=O)N2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 8/20 0.52
NPSR1 Q6W5P4 2/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
GFER P55789 1/20 0.48
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.42
TTR P02766 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 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
SCHEMBL2587982 1.00 MEN1 (0.55) MEN1KMT2AALDH1A1NPSR1GAA
SCHEMBL2586772 0.85 KMT2A (0.53) MEN1KMT2AALDH1A1NPSR1GAA
SCHEMBL4056952 0.85 MEN1 (0.53) MEN1KMT2AALDH1A1NPSR1GAA
SCHEMBL2586777 0.85 KMT2A (0.53) MEN1KMT2AALDH1A1NPSR1GAA
SCHEMBL4056949 0.85 MEN1 (0.53) MEN1KMT2AALDH1A1NPSR1GAA
SCHEMBL2589796 0.85 MEN1 (0.68) MEN1KMT2AALDH1A1NPSR1GAA
SCHEMBL2589792 0.85 MEN1 (0.68) MEN1KMT2AALDH1A1NPSR1GAA
Bromide SCHEMBL11277318 0.83 MEN1 (0.66) MEN1KMT2AALDH1A1NPSR1GAA
Bromide SCHEMBL11180829 0.83 MEN1 (0.66) MEN1KMT2AALDH1A1NPSR1GAA
SCHEMBL14876942 0.81 MEN1 (0.71) MEN1KMT2AALDH1A1NPSR1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 WO disclosed
CN-101274918-A Substitutive five membered heterocyclic compound, preparation and medical use thereof SHANGHAI INST MATERIA MEDICA (CN) 2008-10-01 CN disclosed