SCHEMBL6065003

SCHEMBL6065003

CCOC(=O)C1=C(c2ccc(-c3sccc3[N+](=O)[O-])cc2)C(C)(C#N)C(C(F)(F)F)=N1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 3/20 0.39
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPK1 P28482 1/20 0.34
AR P10275 2/20 0.33
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK14 Q16539 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GRM6 O15303 1/20 0.31
CACNA1C Q13936 2/20 0.31
ADORA1 P30542 1/20 0.31
PTPN11 Q06124 1/20 0.31
ADORA2B P29275 1/20 0.31

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
SCHEMBL6065007 0.71 AR (0.37) PRKCZGAARAB9AMAPTALDH1A1
SCHEMBL4370222 0.71 AR (0.39) PRKCZMAPTALDH1A1ARHPGD
SCHEMBL4374929 0.67 MAPT (0.39) PRKCZGAARAB9AMAPTALDH1A1
SCHEMBL4381278 0.67 AR (0.39) PRKCZGAARAB9AMAPTALDH1A1
SCHEMBL4386448 0.67 AR (0.40) PRKCZGAARAB9AMAPTALDH1A1
SCHEMBL13863268 0.66 AR (0.41) PRKCZMAPTALDH1A1ARHPGD
SCHEMBL4370270 0.66 GRIA4 (0.44) PRKCZMAPTALDH1A1ARHPGD
SCHEMBL24208929 0.65 MAPT (0.62) PRKCZGAARAB9AMAPTAR
SCHEMBL7463777 0.64 ALDH1A1 (0.41) MAPTALDH1A1MAPK1HPGD
SCHEMBL7468472 0.62 PTGS2 (0.51) MAPTALDH1A1HSD17B10

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-1670757-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 WO disclosed