SCHEMBL10692130

SCHEMBL10692130

CCOc1ccccc1C(=O)N(C)C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.51
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HCRTR2 O43614 1/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
THRB P10828 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL305877 0.78 HCRTR1 (0.54) HCRTR1HSD17B10KDM4EHCRTR2LMNA
SCHEMBL10381438 0.78 HCRTR1 (0.61) HCRTR1HCRTR2LMNAMAPTGAA
SCHEMBL530230 0.77 TSHR (0.63) HCRTR1HSD17B10KDM4EHCRTR2LMNA
Water SCHEMBL9316910 0.75 ALDH1A1 (0.62) HCRTR1HSD17B10KDM4ELMNAALDH1A1
SCHEMBL10381433 0.75 TP53 (0.69) HCRTR1HCRTR2LMNAMAPTGAA
SCHEMBL12536449 0.75 MAPT (0.57) HCRTR1HSD17B10KDM4ELMNAALDH1A1
SCHEMBL6969031 0.75 HCRTR1 (0.66) HCRTR1HSD17B10KDM4ELMNAALDH1A1
SCHEMBL206583 0.75 HCRTR1 (0.66) HCRTR1HSD17B10KDM4ELMNAALDH1A1
SCHEMBL11763044 0.75 HCRTR1 (0.66) HCRTR1HSD17B10KDM4ELMNAALDH1A1
SCHEMBL5322417 0.74 LMNA (0.51) HCRTR1HSD17B10KDM4EHCRTR2LMNA

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
EP-0253501-A2 N-disubstituted cycloalkylmethyl amines useful as fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-20 EP disclosed