SCHEMBL2852976

SCHEMBL2852976

CCN(CC)C(=O)Oc1cc2nnc(N)n2nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MAOA P21397 2/20 0.32
▸ MAOB P27338 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL1188215 0.79 ALDH1A1 (0.36) SMN1; SMN2KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL2850664 0.78 LMNA (0.40) LMNATSHRSMN1; SMN2KDM4EMEN1
SCHEMBL16493944 0.72 LMNA (0.48) LMNATSHRSMN1; SMN2KDM4EMEN1
SCHEMBL2845801 0.71 HSD17B10 (0.36) LMNATSHRSMN1; SMN2KDM4EMEN1
SCHEMBL1189789 0.71 CHEK1 (0.32) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL9907129 0.71 GAA (0.36) SMN1; SMN2KDM4EKMT2AHSD17B10L3MBTL1
Trifluoroacetic Acid SCHEMBL1188080 0.68 DPP4 (0.36) SMN1; SMN2KDM4EHSD17B10MAPTALDH1A1
SCHEMBL1189339 0.68 HCRTR1 (0.35) LMNASMN1; SMN2KDM4EKMT2AL3MBTL1
SCHEMBL1203899 0.66 MEN1 (0.34) SMN1; SMN2KDM4EMEN1KMT2AL3MBTL1
SCHEMBL1189661 0.66 CHEK1 (0.32) —

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-2009097970-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-08-13 — — WO disclosed
WO-2009097971-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-08-13 — — WO disclosed
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