SCHEMBL9700697

SCHEMBL9700697

CSc1cn(CC(C)=O)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRCA1 P38398 1/20 0.49
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 8/20 0.45
TP53 P04637 2/20 0.45
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 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
SCHEMBL9701410 0.84 PTGDR2 (0.49) BRCA1ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL8530610 0.79 KMT2A (0.69) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL8530608 0.78 KMT2A (0.48) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL9703067 0.78 KMT2A (0.48) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL28555490 0.76 CDC25A (0.51) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL13980997 0.74 STAT3 (0.76) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL28985493 0.74 HTR2A (0.58) ALDH1A1KMT2AMEN1
SCHEMBL9701790 0.72 BRCA1 (0.46) BRCA1ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL1413251 0.71 PTGDR2 (0.61) ALDH1A1KDM4EHSD17B10KMT2AMAPT
SCHEMBL26858401 0.71 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTGAA

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