SCHEMBL7490357

SCHEMBL7490357

Cc1cc(F)ccc1N1CCc2c1c1cccc(OC(F)(F)F)c1[nH]c2=O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PARP1 P09874 2/20 0.37
CRHR1 P34998 1/20 0.37
PGR P06401 1/20 0.36
AR P10275 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7496561 0.91 KDM4E (0.40) KDM4ECRHR1ALDH1A1
SCHEMBL7498563 0.90 CYP1A2 (0.40) KDM4ECRHR1ALDH1A1
SCHEMBL8484525 0.89 NQO2 (0.44) KDM4EPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL8071575 0.89 KDM4E (0.41) KDM4EALDH1A1
SCHEMBL7489265 0.88 CRHR1 (0.39) KDM4ECRHR1ALDH1A1
SCHEMBL7491401 0.88 ADRA1A (0.40) PIK3CDPIK3CAPIK3CBPIK3CGPARP1
SCHEMBL7489494 0.86 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL7498546 0.83 KDM4E (0.51) KDM4EPARP1ALDH1A1
SCHEMBL7483908 0.82 KDM4E (0.40) KDM4EPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL8487677 0.79 CYP1A2 (0.46) KDM4ECRHR1ALDH1A1

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