SCHEMBL9701410

SCHEMBL9701410

CC(=O)Cn1cc(Sc2ccccc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.49
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 1/20 0.46
BRCA1 P38398 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.43
STAT3 P40763 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
SCHEMBL1413251 0.88 PTGDR2 (0.61) PTGDR2ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL9700697 0.84 BRCA1 (0.49) ALDH1A1KDM4EHSD17B10BRCA1KMT2A
SCHEMBL9701778 0.83 ALDH1A1 (0.45) PTGDR2ALDH1A1KDM4EHSD17B10BRCA1
SCHEMBL18402953 0.80 BRCA1 (0.55) ALDH1A1KDM4EHSD17B10BRCA1KMT2A
SCHEMBL8530610 0.75 KMT2A (0.69) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL8530608 0.74 KMT2A (0.48) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL9703067 0.74 KMT2A (0.48) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL9701525 0.74 ALDH1A1 (0.44) PTGDR2ALDH1A1KDM4EHSD17B10BRCA1
SCHEMBL9700688 0.74 BRCA1 (0.44) PTGDR2ALDH1A1KDM4EHSD17B10BRCA1
SCHEMBL28555490 0.73 CDC25A (0.51) ALDH1A1KDM4EKMT2AMEN1SMN1; 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