SCHEMBL7971494

SCHEMBL7971494

Cc1ccc(-c2ccc(C3(c4ccc([N+](=O)[O-])cc4)OC(=O)C(O)=C3O)cc2F)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
KCNH2 Q12809 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7968549 0.84 MAPT (0.41) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL7969007 0.82 MAPT (0.35) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL6027607 0.80 NQO2 (0.39) ALDH1A1MAPTTDP1MAPK1MEN1
SCHEMBL7965276 0.74 HSPB1 (0.40) ALDH1A1MAPTTDP1MAPK1MEN1
SCHEMBL7968407 0.71 POLB (0.46) ALDH1A1MAPTTDP1MAPK1MEN1
SCHEMBL7968467 0.69 MAPT (0.39) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL7539856 0.69 ABCG2 (0.37) MAPTMAPK1CA9
SCHEMBL7965192 0.69 ESR1 (0.40) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL7972386 0.67 MAPT (0.40) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7966269 0.67 LMNA (0.40) ALDH1A1MAPTSMN1; SMN2ALOX12HTT

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-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US disclosed