SCHEMBL8066947

SCHEMBL8066947

Cc1ccccc1N1CCc2c1c1cccc(OCC(F)(F)C(F)(F)F)c1[nH]c2=O

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7488966 0.93 ADRA1D (0.42) KDM4EALDH1A1
SCHEMBL8071575 0.85 KDM4E (0.41) KDM4EALDH1A1
SCHEMBL8484042 0.83 KDM4E (0.52) KDM4EALDH1A1
SCHEMBL7495661 0.83 KDM4E (0.48) KDM4EALDH1A1
SCHEMBL7491401 0.83 ADRA1A (0.40)
SCHEMBL8058276 0.81 ADRA1A (0.36)
SCHEMBL9686536 0.81 DDB1 (0.48) KDM4E
SCHEMBL7484660 0.80 CYP1A2 (0.38) KDM4EALDH1A1
SCHEMBL7489494 0.79 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL7492446 0.79 SRD5A1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6011044-A ANTIULCER AGENTS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-01-04 US disclosed