SCHEMBL8198601

SCHEMBL8198601

COC(=O)c1ccsc1NC(=S)NC(=O)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.76
KMT2A Q03164 7/20 0.64
MAPT P10636 6/20 0.64
MEN1 O00255 3/20 0.64
ALOX12 P18054 3/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 1/20 0.64
MAPK10 P53779 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MAPK8 P45983 1/20 0.52
EPHX1 P07099 1/20 0.51
POLB P06746 2/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL28802106 0.88 ALOX12 (0.64) KDM4EKMT2AMAPTMEN1ALOX12
SCHEMBL4703988 0.86 KDM4E (1.00) KDM4EKMT2AMAPTMEN1ALOX12
SCHEMBL4496604 0.80 L3MBTL1 (0.76) KDM4EKMT2AMAPTMEN1ALOX12
SCHEMBL24970013 0.74 KDM4E (0.68) KDM4EKMT2AMAPTMEN1ALOX12
SCHEMBL31398632 0.74 ALDH1A1 (0.77) KDM4EKMT2AMAPTMEN1ALOX12
SCHEMBL7494798 0.74 KMT2A (0.55) KDM4EKMT2AMAPTMEN1ALOX12
SCHEMBL16674539 0.73 KDM4E (0.70) KDM4EKMT2AMAPTMEN1ALOX12
SCHEMBL23413572 0.73 NPC1 (0.76) KDM4EKMT2AMAPTMEN1MAPK10
SCHEMBL11932743 0.73 EPHX1 (0.65) KDM4EKMT2AMAPTMEN1ALOX12
SCHEMBL14095084 0.73 KDM4E (0.74) KDM4EKMT2AMAPTMEN1ALOX12

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-2000071524-A1 2-NH-PYRIDONES AND PYRIMIDONES AS MRS INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-11-30 WO disclosed