SCHEMBL9293307

SCHEMBL9293307

COc1ccc2[nH]c(=O)c(CCl)cc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.65
ALDH1A1 P00352 11/20 0.65
MAPT P10636 8/20 0.65
GAA P10253 7/20 0.65
HSD17B10 Q99714 6/20 0.65
APAF1 O14727 2/20 0.65
ALOX15 P16050 2/20 0.65
CASP1 P29466 2/20 0.65
CASP7 P55210 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
NPC1 O15118 1/20 0.65
MAPK1 P28482 1/20 0.65
ALOX12 P18054 1/20 0.62
HPGD P15428 6/20 0.58
POLB P06746 3/20 0.58
HTT P42858 2/20 0.58
LMNA P02545 1/20 0.58
RECQL P46063 1/20 0.58
RXFP1 Q9HBX9 2/20 0.57
PDE10A Q9Y233 2/20 0.55

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
SCHEMBL9293461 0.85 KDM4E (0.65) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL24852632 0.80 MAPT (0.67) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL30162737 0.80 MAPT (0.67) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL9294451 0.79 ALDH1A1 (0.72) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL9269640 0.78 AXL (0.64) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL30293236 0.76 KDM4E (0.61) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL30705593 0.76 KDM4E (0.55) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL5445669 0.76 KDM4E (0.65) KDM4EALDH1A1MAPTGAAHSD17B10
Hydrochloric Acid SCHEMBL9294125 0.75 KDM4E (0.56) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL13846771 0.74 CA2 (0.63) KDM4EALDH1A1MAPTGAAHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE34722-E Antiulcer agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed
US-4578381-A ANTIULCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-25 US disclosed