SCHEMBL2845801

SCHEMBL2845801

CCOc1cc(OC(=O)N(CC)CC)c2nnc(N)n2n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 5/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CSNK1D P48730 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31

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
SCHEMBL2850664 0.83 LMNA (0.40) HSD17B10KMT2AMEN1LMNAKDM4E
SCHEMBL1204034 0.81 CSNK1D (0.37) KMT2ALMNAKDM4ECSNK1DSMN1; SMN2
SCHEMBL1205558 0.81 AKT1 (0.39) HSD17B10KMT2AMEN1LMNAKDM4E
SCHEMBL1190578 0.74 CSNK1D (0.35) HSD17B10KMT2AMEN1KDM4EL3MBTL1
SCHEMBL1205158 0.73 NPC1 (0.37) KMT2AMEN1CSNK1DNPC1RAB9A
SCHEMBL2852976 0.71 LMNA (0.40) HSD17B10KMT2AMEN1LMNAKDM4E
SCHEMBL1205019 0.71 SCN9A (0.34) KMT2AMEN1CSNK1DNPC1RAB9A
SCHEMBL1205165 0.69 LMNA (0.32) LMNAL3MBTL1CSNK1DMAPT
SCHEMBL1205385 0.68 CSNK1D (0.34) CSNK1D
SCHEMBL1205075 0.66 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240486-B1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, THEIR MANUFACTURE AND THEIR APPLICATION AS MEDICINE SANOFI SA (FR) 2015-09-09 — — EP disclosed
EP-2240487-B1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI SA (FR) 2011-12-14 — — EP disclosed
EP-2240487-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS Sanofi-Aventis (FR) 2010-10-20 — — EP disclosed
EP-2240486-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS Sanofi-Aventis (FR) 2010-10-20 — — EP disclosed
WO-2009097971-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-08-13 — — WO disclosed
WO-2009097970-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-08-13 — — WO disclosed
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