SCHEMBL10340271

SCHEMBL10340271

COc1ccccc1CC(=O)Nc1ccccc1C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.77
ALDH1A1 P00352 1/20 0.77
HSD17B10 Q99714 1/20 0.77
GAA P10253 5/20 0.73
MAPT P10636 1/20 0.71
TSHR P16473 2/20 0.67
LMNA P02545 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
HPGD P15428 1/20 0.61
PTGER4 P35408 1/20 0.61
GFER P55789 1/20 0.60
HCAR2 Q8TDS4 1/20 0.56
ATM Q13315 1/20 0.56
MAPK8 P45983 1/20 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
SCHEMBL10340210 0.89 MAPT (0.71) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL8639229 0.89 MAPT (0.71) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL27546664 0.86 NPC1 (0.60) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL10340313 0.86 ALDH1A1 (0.65) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL14075300 0.85 KDM4E (0.78) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL29396023 0.84 MAPT (0.62) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL22191541 0.84 MAPT (0.62) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL5595072 0.84 CFD (0.62) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL10340244 0.82 MAPK8 (0.62) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL10844635 0.81 KMT2A (0.66) KDM4EALDH1A1HSD17B10MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0169537-B1 2-PHENYLALKYL-3-AMINOALKYL-4(3H)-QUINAZOLINONES, PROCESSES FOR PREPARING THEM, PHARMACEUTICAL COMPOSITIONS AND USE MITSUBISHI KASEI CORPORATION (JP) 1990-01-03 EP disclosed
US-4668682-A CALCIUM ANTAGONISTS, VASODILATORS, HYPOTENSIVE AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1987-05-26 US disclosed
EP-0169537-A2 2-Phenylalkyl-3-aminoalkyl-4(3H)-quinazolinones, processes for preparing them, pharmaceutical compositions and use MITSUBISHI KASEI CORPORATION (JP) 1986-01-29 EP disclosed