SCHEMBL4715867

SCHEMBL4715867

O=C(O)c1sccc1N=C=S

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
AXL P30530 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
GPR35 Q9HC97 1/20 0.36
PTPRC P08575 2/20 0.36
ABCC1 P33527 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTPRG P23470 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MIF P14174 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL16413176 0.83 PTPN2 (0.41) PTPN2PTPN1AXLLMNANPSR1
SCHEMBL2919829 0.80 NPC1 (0.49) LMNANPSR1KMT2AMEN1NPC1
SCHEMBL15285171 0.70 PTPN2 (0.40) PTPN2PTPN1AXLLMNANPSR1
SCHEMBL4714140 0.70 MEN1 (0.40) PTPN2LMNAABCC1KMT2AMEN1
SCHEMBL1845950 0.69 AXL (0.41) PTPN2PTPN1AXLLMNANPSR1
SCHEMBL1845952 0.69 AXL (0.41) PTPN2PTPN1AXLLMNANPSR1
SCHEMBL3261351 0.69 GPR35 (0.37) GPR35KMT2AMEN1ALDH1A1KDM4E
SCHEMBL4976191 0.68
SCHEMBL9358475 0.68
SCHEMBL1110888 0.65 ALDH1A1 (0.50) NPSR1KMT2AMEN1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017045750-A1 COMPOUNDS AS ASIC INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 WO disclosed
EP-1768985-B1 PYRIMIDO-BENZIMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE FORM OF AGONISTS OR ANTAGONISTS OF MELANOCORTIN RECEPTORS SOD CONSEILS RECH APPLIC (FR) 2008-01-23 EP disclosed
EP-1768985-A1 PYRIMIDO-BENZIMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE FORM OF AGONISTS OR ANTAGONISTS OF MELANOCORTIN RECEPTORS Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2007-04-04 EP disclosed
WO-2006010811-A1 PYRIMIDO-BENZIMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE FORM OF AGONISTS OR ANTAGONISTS OF MELANOCORTIN RECEPTORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-02-02 WO disclosed