SCHEMBL9260637

SCHEMBL9260637

NN=Cc1ccc(NC(=O)C=CC(=O)Nc2ncccc2CCC(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 1/20 0.38
KDM1A O60341 1/20 0.37
NAMPT P43490 3/20 0.35
ALDH1A1 P00352 6/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
LPAR2 Q9HBW0 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
SHMT2 P34897 1/20 0.34
EGFR P00533 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL6981154 0.88 KMT2A (0.43) KMT2AMEN1MAPTHTTHPGD
SCHEMBL9260591 0.84 MEN1 (0.34) KMT2AMEN1MAPTHTTNAMPT
SCHEMBL6978226 0.84 MEN1 (0.34) KMT2AMEN1MAPTHTTNAMPT
SCHEMBL9260617 0.82 ITGB3 (0.45) KMT2AMEN1MAPTALDH1A1
SCHEMBL9261117 0.82 ITGB3 (0.45) KMT2AMEN1MAPTALDH1A1
SCHEMBL7323432 0.73 LPAR2 (0.62) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL31048772 0.70 PPIA (0.42) KDM4EKMT2AMEN1MAPTHTT
SCHEMBL6980785 0.70 CA12 (0.59) KDM4EKMT2AMEN1MAPTHTT
SCHEMBL6979118 0.69 ALDH1A1 (0.33) KMT2AMEN1MAPTNAMPTALDH1A1
Hydrochloric Acid SCHEMBL6983894 0.69 CA12 (0.57) KDM4EKMT2AMEN1MAPTHTT

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-5378727-A ADMINISTERING TO MAMMALS G. D. SEARLE & CO. (US) 1995-01-03 US disclosed