SCHEMBL9130257

SCHEMBL9130257

FC(F)(F)c1ccc2c(c1)NCC1(CC1)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
CYBB P04839 1/20 0.36
NOX3 Q9HBY0 1/20 0.36
NOX4 Q9NPH5 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
JUN P05412 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABL1 P00519 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
SCN9A Q15858 1/20 0.32

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
SCHEMBL17026782 0.82 KMT2A (0.37) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL9147420 0.81 MAPT (0.39) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL31318554 0.79 HTR2C (0.38) KMT2AMAPTEPHX2
SCHEMBL9126810 0.78 TRPV1 (0.39) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL1670891 0.76 AHR (0.35) MEN1KMT2AGAAMAPTL3MBTL1
SCHEMBL13090969 0.76 HSD17B10 (0.49) KMT2AGAAMAPTKDM4EALDH1A1
SCHEMBL8470066 0.71 ACE2 (0.42) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL31751274 0.71 TSHR (0.45) GAAMAPTKDM4EALDH1A1
SCHEMBL9128758 0.71 ACE2 (0.46) MEN1KMT2AACE2CYBBNOX3
SCHEMBL31318556 0.71 ALOX5 (0.40) KMT2AGAAMAPTALDH1A1PARP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119059989-A URAT1 inhibitor, preparation method and application thereof 中国药科大学 2024-12-03 CN disclosed
US-5440036-A For cardiovascular and respiratory system disorders SS PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
EP-0602458-A1 1,4-Benzoxazine derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed