SCHEMBL5517348

SCHEMBL5517348

CNc1c(F)c(O)cc(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.36
ADRA2B P18089 4/20 0.36
ADRA2C P18825 4/20 0.36
ADRA1A P35348 2/20 0.36
RAPGEF4 Q8WZA2 1/20 0.31
ADRB1 P08588 2/20 0.31
ADRB3 P13945 2/20 0.31
ADRB2 P07550 1/20 0.31
RET P07949 1/20 0.31
KIF5B P33176 1/20 0.31
KDR P35968 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 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

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
SCHEMBL22421805 0.83 RAPGEF4 (0.37) RAPGEF4CES2CES1
SCHEMBL5517310 0.82 ADRA2A (0.36) ADRA2AADRA2BADRA2CADRA1ARAPGEF4
SCHEMBL5518799 0.82 ADRA2A (0.36) ADRA2AADRA2BADRA2CADRA1AADRB1
SCHEMBL5507115 0.78 RAPGEF4 (0.34) RAPGEF4
SCHEMBL5511102 0.77 CA1 (0.32) ADRA2AADRA2BADRA2CRAPGEF4ADRB1
SCHEMBL5514099 0.77 RET (0.39) ADRA2AADRA2BADRA2CADRA1AADRB1
SCHEMBL5512551 0.77 CA3 (0.34) ADRA2AADRA2BADRA2CADRA1AADRB1
SCHEMBL5518869 0.77
SCHEMBL5513503 0.74 RAPGEF4 (0.32) RAPGEF4
SCHEMBL5515573 0.74 CES2 (0.32) CES2CES1

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