SCHEMBL5300161

SCHEMBL5300161

CC1(C)Cc2cc(Nc3ccc(F)cc3[N+](=O)[O-])ccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 4/20 0.46
MAPK1 P28482 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK14 Q16539 9/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL5288032 0.83 MAPK14 (0.56) ALDH1A1MAPK14
SCHEMBL5293741 0.81 MAPK14 (0.58) MAPK14
SCHEMBL27727217 0.79 ALDH1A1 (0.48) MAPK1MAPTALDH1A1TDP1MEN1
SCHEMBL27727317 0.77 ALDH1A1 (0.45) MAPK1MAPTALDH1A1TDP1L3MBTL1
SCHEMBL27706506 0.75 KIF11 (0.57) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL20951663 0.75 CA1 (0.43) ALDH1A1L3MBTL1
SCHEMBL5286643 0.74 MAPK1 (0.47) ALDH3A1MAPK1MAPTALDH1A1TDP1
SCHEMBL5281273 0.72 MAPK14 (0.60) MAPK14
SCHEMBL2319223 0.71 MAPK14 (0.59) MAPK14
SCHEMBL4219691 0.70 MAPK14 (0.74) MAPK14

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-2007000337-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO disclosed