SCHEMBL2818616

SCHEMBL2818616

CC(=O)c1ccc(Cn2cc(N)cn2)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 3/20 0.47
PKM P14618 3/20 0.47
HSD17B10 Q99714 2/20 0.47
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
GAA P10253 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL15189768 0.89 LMNA (0.43) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL14699394 0.85 LMNA (0.53) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1166945 0.85 ALDH1A1 (0.56) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL23188937 0.84 LMNA (0.54) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL27847087 0.83 LMNA (0.46) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1166109 0.79 LMNA (0.75) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL2823503 0.76 TDP1 (0.45) LMNAALDH1A1HTTSMN1; SMN2POLB
SCHEMBL28802238 0.75 LMNA (0.42) LMNAALDH1A1HTTSMN1; SMN2POLB
SCHEMBL1704117 0.75 KDM4E (0.42) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1167800 0.75 LMNA (0.41) LMNAMAPTALDH1A1HTTSMN1; SMN2

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