SCHEMBL2820526

SCHEMBL2820526

CC(=O)c1csc(Cn2cc(N)cn2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.38
KLKB1 P03952 7/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 2/20 0.34
FPR2 P25090 3/20 0.33
FPR3 P25089 2/20 0.33
KDM1A O60341 2/20 0.33
HIF1A Q16665 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
SCHEMBL1704174 0.76 MAPT (0.40) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL2819150 0.76 MAPT (0.43) MAPTNPC1RAB9AKLKB1ALDH1A1
SCHEMBL2818990 0.75 MAPT (0.42) MAPTNPC1RAB9AKLKB1MEN1
SCHEMBL27806752 0.75 L3MBTL1 (0.44) KLKB1L3MBTL1
SCHEMBL2817969 0.74 MAPT (0.38) MAPTNPC1RAB9ALMNAKLKB1
SCHEMBL2825554 0.73 CA2 (0.40) MAPTLMNAKLKB1ALDH1A1PKM
SCHEMBL2822244 0.73 MAPT (0.50) MAPTLMNAKLKB1ALDH1A1PKM
SCHEMBL2825716 0.73 KLKB1 (0.46) MAPTLMNAKLKB1ALDH1A1PKM
SCHEMBL2332615 0.72 MAPT (0.40) MAPTNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL1167262 0.72 MEN1 (0.49) MAPTLMNAKLKB1ALDH1A1PKM

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-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP claimed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US claimed
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP disclosed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US disclosed
EP-2242743-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 EP disclosed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO disclosed