SCHEMBL6065007

SCHEMBL6065007

CCOC(=O)c1[nH]c(C(F)(F)F)c(CC#N)c1-c1ccc(-c2sccc2[N+](=O)[O-])cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.37
MAPT P10636 4/20 0.36
PRKCZ Q05513 1/20 0.34
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
CACNA1D Q01668 2/20 0.32
MEN1 O00255 2/20 0.32
CYP1A2 P05177 1/20 0.32
XBP1 P17861 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
LMNA P02545 1/20 0.31
USP10 Q14694 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
SCHEMBL4386448 0.88 AR (0.40) ARMAPTPRKCZGAARAB9A
SCHEMBL4374929 0.77 MAPT (0.39) ARMAPTPRKCZGAARAB9A
SCHEMBL4370222 0.74 AR (0.39) ARMAPTPRKCZALDH1A1HPGD
SCHEMBL6065003 0.71 PRKCZ (0.39) ARMAPTPRKCZGAARAB9A
SCHEMBL4381278 0.70 AR (0.39) ARMAPTPRKCZGAARAB9A
SCHEMBL13863268 0.70 AR (0.41) ARMAPTPRKCZALDH1A1HPGD
SCHEMBL4370270 0.69 GRIA4 (0.44) ARMAPTPRKCZALDH1A1HPGD
SCHEMBL24208929 0.65 MAPT (0.62) ARMAPTPRKCZGAARAB9A
SCHEMBL4369440 0.64 ALDH1A1 (0.43) MAPTGAAALDH1A1HPGDKMT2A
SCHEMBL16828416 0.64 ALDH1A1 (0.50) MAPTPRKCZRAB9AALDH1A1HPGD

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