SCHEMBL5513683

SCHEMBL5513683

Oc1ccc(F)c2c(NC(F)(F)F)ccc(F)c12

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 1/20 0.31
PIM1 P11309 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MPI P34949 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IDO1 P14902 1/20 0.31
CA3 P07451 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL5507012 0.79 MAPT (0.42) KDM4EMPIL3MBTL1IDO1
SCHEMBL5508878 0.76 IDO1 (0.44) PIM1KDM4EL3MBTL1IDO1CA3
SCHEMBL5513895 0.76 PIM1 (0.50) PIM1KDM4EMPIL3MBTL1IDO1
SCHEMBL5513205 0.74
SCHEMBL5515643 0.74 CA3 (0.37) IDO1CA3CA6CA5ACA9
SCHEMBL5511645 0.74 IDO1 (0.33) IDO1
SCHEMBL5516157 0.70 RET (0.30)
SCHEMBL5511735 0.69 ESR1 (0.36) KDM4EIDO1
SCHEMBL5511601 0.68 TNIK (0.41)
SCHEMBL5514337 0.68 KDM4E (0.32) KDM4EMPIL3MBTL1CA3CA6

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