SCHEMBL11256153

SCHEMBL11256153

CCOc1cc(-c2nc(Br)c(C(F)(F)F)[nH]2)c(F)cc1C(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
CYP3A4 P08684 1/20 0.32
SYK P43405 1/20 0.32
ITK Q08881 1/20 0.32
IDO1 P14902 1/20 0.32
LRRK2 Q5S007 1/20 0.32
KDM4E B2RXH2 2/20 0.32
PDE5A O76074 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
RET P07949 4/20 0.31
KDR P35968 1/20 0.31
DGAT1 O75907 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 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
SCHEMBL11253445 0.88 TDP1 (0.37) F10PLGPLAUTSHRHSD17B10
SCHEMBL11256789 0.85 EGLN1 (0.36) F10PLGPLAUHSD17B10EGLN1
SCHEMBL11263574 0.85 DHODH (0.32)
SCHEMBL11257919 0.84 PDE5A (0.34) F10PLGPLAUTSHRHSD17B10
SCHEMBL11253838 0.83 TRPA1 (0.36) F10PLGPLAUKDM4EPDE5A
SCHEMBL11241670 0.81 TRPA1 (0.33) F10PLGPLAUEGLN1KDM4E
SCHEMBL11249168 0.81 PDE5A (0.32) F10PLGPLAUEGLN1KDM4E
SCHEMBL11267101 0.81 POLB (0.36) F10PLGPLAUEGLN1KDM4E
SCHEMBL11251640 0.80 SOS1 (0.37) TSHRHSD17B10KDM4E
SCHEMBL11259216 0.80 PDE3B (0.33) F10PLGPLAUEGLN1KDM4E

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-4314844-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1982-02-09 US disclosed