SCHEMBL7489494

SCHEMBL7489494

Cc1cccc(N2CCc3c2c2cccc(OC(F)(F)F)c2[nH]c3=O)c1C

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 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
SCHEMBL8071575 0.93 KDM4E (0.41) KDM4EALDH1A1
SCHEMBL7498546 0.87 KDM4E (0.51) KDM4EALDH1A1
SCHEMBL7490357 0.86 KDM4E (0.41) KDM4EALDH1A1
SCHEMBL7483908 0.86 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL7496561 0.85 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL7498563 0.84 CYP1A2 (0.40) KDM4EALDH1A1
SCHEMBL7489265 0.82 CRHR1 (0.39) KDM4EALDH1A1
SCHEMBL7488966 0.80 ADRA1D (0.42) KDM4EALDH1A1
SCHEMBL8484042 0.80 KDM4E (0.52) KDM4EALDH1A1
SCHEMBL8066947 0.79 KDM4E (0.38) 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