SCHEMBL2819097

SCHEMBL2819097

CC(=O)c1cc(Cn2cc(N)cn2)on1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
SCD O00767 6/20 0.38
SCD5 Q86SK9 6/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KLKB1 P03952 2/20 0.35
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL1166586 0.79 LMNA (0.53) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL2327774 0.75 KLKB1 (0.35) SMN1; SMN2RAB9ALMNAMAPTKLKB1
SCHEMBL2818616 0.75 LMNA (0.48) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL1167376 0.75 MEN1 (0.37) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL13254717 0.74 TDP1 (0.46) RAB9AMEN1KMT2ALMNAALDH1A1
SCHEMBL1167262 0.73 MEN1 (0.49) MEN1KMT2ALMNAMAPTSCD
SCHEMBL2825554 0.71 CA2 (0.40) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL2327771 0.71 KLKB1 (0.34) SMN1; SMN2RAB9ALMNAMAPTKLKB1
SCHEMBL2825716 0.71 KLKB1 (0.46) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL2820526 0.71 MAPT (0.40) RAB9AMEN1KMT2ALMNAMAPT

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 8 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-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 EP claimed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO 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