SCHEMBL9752292

SCHEMBL9752292

N#CNC(=O)C1CC=CCC1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.49
GAA P10253 3/20 0.36
POLB P06746 5/20 0.34
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL9752290 1.00 GRM4 (0.49) GRM4GAAPOLBALDH1A1TDP1
SCHEMBL9550324 0.79
SCHEMBL2674256 0.77 GRM4 (0.52) GRM4GAAPOLBALDH1A1TDP1
SCHEMBL2593887 0.77 GRM4 (0.52) GRM4GAAPOLBALDH1A1TDP1
SCHEMBL15772906 0.76 GRM4 (0.54) GRM4GAAPOLBALDH1A1TDP1
SCHEMBL9631621 0.76 GRM4 (0.45) GRM4ALDH1A1SMN1; SMN2LMNA
SCHEMBL3505995 0.75 GRM4 (0.53) GRM4GAAPOLBALDH1A1TDP1
SCHEMBL19974222 0.72 GRM4 (0.50) GRM4GAAPOLBALDH1A1TDP1
SCHEMBL9550312 0.71
SCHEMBL8830406 0.70 GRM4 (0.49) GRM4GAAPOLBALDH1A1TDP1

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-1991001307-A2 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1991-02-07 WO disclosed