SCHEMBL370880

SCHEMBL370880

COc1ccc(Cn2cc(-c3nc(NC(=O)O)sc3C(C)=O)c(C(C)O)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RAB9A P51151 2/20 0.39
XBP1 P17861 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
ADORA3 P0DMS8 3/20 0.37
ACHE P22303 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL370267 0.89 GSK3A (0.39) GSK3AGSK3BMAPTMEN1KMT2A
SCHEMBL6837254 0.79 LMNA (0.36) MAPTLMNANPSR1XBP1SMN1; SMN2
SCHEMBL369622 0.79 GSK3A (0.48) GSK3AGSK3BMAPTMEN1KMT2A
SCHEMBL6837241 0.78 LMNA (0.35) MAPTLMNANPSR1XBP1SMN1; SMN2
SCHEMBL370192 0.77 MAPT (0.35) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL15182539 0.77 KMT2A (0.36) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL15182518 0.76 AADAT (0.35) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL15182520 0.76 MEN1 (0.38) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL369851 0.75 GSK3A (0.40) GSK3AGSK3BMAPTMEN1KMT2A
SCHEMBL369206 0.75 GSK3B (0.40) GSK3AGSK3BMAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593277-A2 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2013-05-22 EP disclosed
WO-2012009000-A2 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2012-01-19 WO disclosed