SCHEMBL5514337

SCHEMBL5514337

Oc1ccc(F)c(F)c1NC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MPI P34949 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
MAP2K2 P36507 2/20 0.31
MAP2K1 Q02750 2/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL5518501 0.83 RET (0.35) KDM4EMPIL3MBTL1CA3CA6
SCHEMBL5515475 0.75 KMT2A (0.35) KDM4ECA6CA9HSD17B1HSD17B2
SCHEMBL5515573 0.75 CES2 (0.32) CES2CES1
SCHEMBL5513322 0.75
SCHEMBL5512551 0.74 CA3 (0.34) KDM4EMPIL3MBTL1CA3CA6
SCHEMBL5509830 0.74 ERN1 (0.33) CA3CA6CA5ACA9CA14
SCHEMBL5511783 0.72 ESR1 (0.37)
SCHEMBL5514281 0.71 CA1 (0.30)
SCHEMBL5516019 0.71
SCHEMBL5508367 0.68 ESR1 (0.30)

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
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed