SCHEMBL7490495

SCHEMBL7490495

COc1ccccc1N1CCc2c(NCCO)nc3c(OC(F)(F)F)cccc3c21

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HTT P42858 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
RAD52 P43351 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL7491434 0.95 KDM4E (0.55) KDM4EALDH1A1HTTGLAGAA
SCHEMBL7496554 0.91 KDM4E (0.47) KDM4EALDH1A1
SCHEMBL7493720 0.90 KDM4E (0.44) KDM4EALDH1A1HTTGLAGAA
SCHEMBL7488031 0.90 KDM4E (0.55) KDM4EALDH1A1HTTGLAGAA
SCHEMBL7496105 0.89 KDM4E (0.44) KDM4EALDH1A1
SCHEMBL4443293 0.87 KDM4E (0.44) KDM4EALDH1A1HTTGLAGAA
SCHEMBL29493312 0.87 KDM4E (0.44) KDM4EALDH1A1HTTGLAGAA
SCHEMBL8073493 0.86 KDM4E (0.46) KDM4EALDH1A1
SCHEMBL7491676 0.86 KDM4E (0.43) KDM4EALDH1A1HTTGLAGAA
SCHEMBL7490165 0.86 KDM4E (0.46) KDM4EALDH1A1

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
EP-0966466-B1 PYRROLO 3,2-c]QUINOLINE DERIVATIVES CONTAINING HALOALKOXY GROUP AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF KOREA RES INST CHEM TECH (KR) 2002-07-03 EP disclosed
US-6011044-A ANTIULCER AGENTS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-01-04 US disclosed