SCHEMBL9700688

SCHEMBL9700688

CC(Cn1cc(Sc2ccccc2)c2ccccc21)N(O)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRCA1 P38398 1/20 0.44
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KAT2B Q92831 1/20 0.39
ALOX5 P09917 2/20 0.38
PLK1 P53350 2/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL9701348 0.87 PTGDR2 (0.54) HSD17B10ALOX5MEN1KMT2APTGDR2
SCHEMBL9701790 0.87 BRCA1 (0.46) BRCA1ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL9701386 0.87 BRCA1 (0.41) BRCA1ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL9701766 0.80 KAT2B (0.42) BRCA1ALDH1A1SMN1; SMN2KAT2BALOX5
SCHEMBL9701525 0.78 ALDH1A1 (0.44) BRCA1ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL9701410 0.74 PTGDR2 (0.49) BRCA1ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL9701778 0.74 ALDH1A1 (0.45) BRCA1ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL1413251 0.73 PTGDR2 (0.61) ALDH1A1KDM4EHSD17B10KMT2APTGDR2
SCHEMBL18402953 0.72 BRCA1 (0.55) BRCA1ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL10172217 0.66 MEN1 (0.40) ALDH1A1SMN1; SMN2KDM4EHSD17B10MEN1

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
US-5132319-A Antiasthmatic, antiinflammatory, antiallergen and cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1992-07-21 US disclosed