SCHEMBL4087642

SCHEMBL4087642

CCOC(=O)c1c(N)sc(-c2ccc([N+](=O)[O-])cc2)c1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 4/20 0.57
PRKCZ Q05513 1/20 0.50
MAPT P10636 9/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
RAB9A P51151 1/20 0.48
HPGD P15428 2/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PTPN1 P18031 1/20 0.46
GPR55 Q9Y2T6 2/20 0.46
POLB P06746 2/20 0.46
SETD7 Q8WTS6 1/20 0.46
AR P10275 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
XBP1 P17861 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADORA1 P30542 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
SCHEMBL3980249 0.89 GRM6 (0.73) GRM6MAPTALDH1A1MEN1KMT2A
SCHEMBL3974628 0.87 GRM6 (0.61) GRM6PRKCZMAPTALDH1A1MEN1
SCHEMBL3974186 0.87 GRM6 (0.61) GRM6MAPTALDH1A1MAPK1MEN1
SCHEMBL3975104 0.86 GRM6 (0.60) GRM6MAPTALDH1A1MEN1KMT2A
SCHEMBL3974612 0.85 GRM6 (0.61) GRM6MAPTALDH1A1MEN1KMT2A
SCHEMBL3981712 0.82 GRM6 (0.57) GRM6MAPTALDH1A1MEN1KMT2A
SCHEMBL4249297 0.78 GRM6 (0.70) GRM6PRKCZMAPTALDH1A1MAPK1
SCHEMBL11634973 0.75 MAPT (0.63) GRM6PRKCZMAPTALDH1A1MAPK1
SCHEMBL4090650 0.72 ADORA1 (0.77) GRM6MAPTALDH1A1MEN1KMT2A
SCHEMBL4076833 0.71 ADORA1 (0.66) GRM6MAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009049362-A1 A1 ADENOSINE RECEPTOR ALLOSTERIC ENHANCERS MONASH UNIVERSITY (AU) 2009-04-23 WO disclosed