SCHEMBL18607487

SCHEMBL18607487

COc1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2[N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.48
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
XDH P47989 1/20 0.41
APP P05067 1/20 0.40
MAPK1 P28482 3/20 0.39
LMNA P02545 1/20 0.39
RAF1 P04049 1/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
PAX8 Q06710 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KIF11 P52732 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTGES O14684 1/20 0.39
FBP1 P09467 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL2336139 0.84 HTR7 (0.56) HTR7MAPTALDH1A1KDM4EXDH
SCHEMBL7250352 0.81 HTR7 (0.51) HTR7MAPTALDH1A1KDM4EXDH
SCHEMBL18607551 0.81 ALDH1A1 (0.56) MAPTALDH1A1MAPK1HPGDTDP1
SCHEMBL2955704 0.80 ALDH1A1 (0.54) HTR7MAPTALDH1A1KDM4EXDH
SCHEMBL10134271 0.78 HTR7 (0.51) HTR7MAPTALDH1A1KDM4EXDH
SCHEMBL18607586 0.78 RAB9A (0.43) MAPTALDH1A1TDP1NPC1RAB9A
SCHEMBL11188343 0.78 HTR7 (0.54) HTR7MAPTALDH1A1KDM4EMAPK1
SCHEMBL18607708 0.76 ALDH1A1 (0.51) MAPTALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL27530424 0.76 MAPT (0.67) HTR7MAPTALDH1A1KDM4EMAPK1
SCHEMBL5147211 0.75 MAPT (0.54) HTR7MAPTALDH1A1KDM4EMAPK1

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
WO-2017038870-A1 UREA DERIVATIVE AND USE THEREOF 東レ株式会社 2017-03-09 WO disclosed