SCHEMBL2822244

SCHEMBL2822244

CC(=O)c1cc(Cn2cc(N)cn2)cs1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 3/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.43
KLKB1 P03952 8/20 0.37
ALDH1A1 P00352 3/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1167262 0.77 MEN1 (0.49) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL2825554 0.76 CA2 (0.40) MAPTMEN1KMT2ALMNAKLKB1
SCHEMBL2329291 0.76 MAPT (0.50) MAPTNPSR1POLBHPGDMEN1
SCHEMBL13254741 0.75 MAPT (0.53) MAPTNPSR1POLBHPGDMEN1
SCHEMBL2817969 0.74 MAPT (0.38) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL2819101 0.74 LMNA (0.41) MAPTNPSR1POLBHPGDMEN1
SCHEMBL2820526 0.73 MAPT (0.40) MAPTMEN1KMT2ALMNAKLKB1
SCHEMBL2821286 0.73 MEN1 (0.60) MAPTNPSR1POLBHPGDMEN1
SCHEMBL1166573 0.73 MEN1 (0.41) MAPTMEN1KMT2ALMNAKLKB1
SCHEMBL2329287 0.71 MAPT (0.48) MAPTNPSR1POLBHPGDMEN1

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