SCHEMBL7305559

SCHEMBL7305559

CC(=O)NCC(=O)C(C(C)(C)F)(C(C)(C)F)C(C)(C)F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL9138154 0.79 KDM4E (0.39) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL8240200 0.77 KDM4E (0.40) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL12128670 0.71 KDM4E (0.36) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL14970370 0.67
SCHEMBL78087 0.67
SCHEMBL17674741 0.66
SCHEMBL15200246 0.65 KDM4E (0.42) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL889022 0.65
SCHEMBL295249 0.65
SCHEMBL5597209 0.65 KDM4E (0.48) KDM4EMAPK1HIF1ATSHRALDH1A1

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
EP-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed