SCHEMBL6991297

SCHEMBL6991297

[N]Nc1ccsc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.51
MAPK8 P45983 1/20 0.51
PKM P14618 1/20 0.49
BCAT2 O15382 1/20 0.46
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 1/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
NPC1 O15118 3/20 0.38
KDM4E B2RXH2 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTK2 Q05397 1/20 0.37
ABCC1 P33527 1/20 0.37
POLB P06746 2/20 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
SCHEMBL15387053 0.82 MAPK8 (0.53) MAPK10MAPK8PKMBCAT2PTPN2
SCHEMBL7002263 0.81 MAPK8 (0.49) MAPK10MAPK8PKMBCAT2PTPN2
SCHEMBL1317724 0.80 PKM (0.53) MAPK10MAPK8PKMBCAT2PTPN2
SCHEMBL2593851 0.80 MAPK8 (0.64) MAPK10MAPK8PKMBCAT2PTPN2
SCHEMBL21468232 0.79 MAPK8 (0.48) MAPK10MAPK8PKMBCAT2PTPN2
SCHEMBL16011480 0.77 PKM (0.57) MAPK10MAPK8PKMBCAT2PTPN2
SCHEMBL25875491 0.74 PKM (0.55) MAPK10MAPK8PKMPTPN2PTPN1
SCHEMBL9069534 0.72 L3MBTL1 (0.68) MAPK10MAPK8BCAT2KMT2AMEN1
SCHEMBL23997391 0.71 MAPK8 (0.65) MAPK10MAPK8PKMBCAT2IRAK4
SCHEMBL20339308 0.71 MAPK8 (0.65) MAPK10MAPK8PKMPTPN2PTPN1

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
EP-1341773-A2 SUBSTITUTED 1,3,5-TRIAZINES AND PYRIMIDINES AS ABCA-1 ELEVATING COMPOUNDS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-09-10 EP disclosed
WO-2002046172-A2 SUBSTITUTED 1, 3, 5-TRIAZINES AND PYRIMIDINES AS ABCA-1 ELEVATING COMPOUNDS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2002-06-13 WO disclosed