SCHEMBL30568942

SCHEMBL30568942

CC(C)(O)CNc1c([N+](=O)[O-])cc(Br)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
AR P10275 3/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
ABL1 P00519 1/20 0.33
GPR35 Q9HC97 1/20 0.33
CYP3A4 P08684 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
PGR P06401 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
SCHEMBL20512823 1.00 MAPT (0.34) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL30568906 0.88 MAPT (0.35) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL20512570 0.88 MAPT (0.35) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL20512883 0.84 MAPT (0.33) MAPTALDH1A1GAAARABL1
SCHEMBL30568917 0.84 MAPT (0.33) MAPTALDH1A1GAAARABL1
SCHEMBL20512588 0.82 AR (0.33) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL30568956 0.82 AR (0.33) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL20512483 0.78 LMNA (0.36) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL30568936 0.78 LMNA (0.36) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL21412120 0.76 LMNA (0.39) MAPTTDP1L3MBTL1ALDH1A1CYP3A4

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
CN-110740991-B Novel biphenyl compound or salt thereof 大鹏药品工业株式会社 2023-07-04 CN disclosed