SCHEMBL9701766

SCHEMBL9701766

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.42
ALOX5 P09917 5/20 0.41
PLK1 P53350 2/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
BRCA1 P38398 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ASH1L Q9NR48 1/20 0.37
ICMT O60725 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CFD P00746 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
SCHEMBL9701790 0.82 BRCA1 (0.46) KAT2BALOX5PLK1ALDH1A1BRCA1
SCHEMBL9700688 0.80 BRCA1 (0.44) KAT2BALOX5PLK1ALDH1A1BRCA1
SCHEMBL9701348 0.75 PTGDR2 (0.54) ALOX5ICMT
SCHEMBL9703067 0.70 KMT2A (0.48) ALDH1A1LMNAHTTCNR1CNR2
SCHEMBL9701386 0.67 BRCA1 (0.41) KAT2BALOX5PLK1ALDH1A1BRCA1
SCHEMBL2395366 0.65 ALOX5 (0.53) ALOX5ALDH1A1SMN1; SMN2
SCHEMBL15333488 0.65 ALDH1A1 (0.43) ALDH1A1LMNAHTTCNR1CNR2
SCHEMBL8710581 0.64 HTR6 (0.60) CNR2
SCHEMBL5069182 0.62 PLK1 (0.64) KAT2BPLK1ALDH1A1LMNA
SCHEMBL23956122 0.62 KMT2A (0.55) ALDH1A1LMNAHTTSMN1; SMN2

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