SCHEMBL6757490

SCHEMBL6757490

O=C1C=C(c2ccc([N+](=O)[O-])cc2)C(=O)N1Nc1ccccc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
ALDH1A1 P00352 6/20 0.52
NPSR1 Q6W5P4 5/20 0.52
CACNA1B Q00975 3/20 0.52
APBA1 Q02410 3/20 0.52
GAA P10253 3/20 0.52
ALOX12 P18054 3/20 0.52
CCR6 P51684 2/20 0.52
HPGD P15428 2/20 0.52
LMNA P02545 6/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
HCRTR1 O43613 1/20 0.47
S1PR4 O95977 1/20 0.47
HSP90AA1 P07900 1/20 0.47
S1PR1 P21453 1/20 0.47
SCN2A Q99250 1/20 0.44
MYC P01106 1/20 0.43

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
SCHEMBL9306130 0.83 MEN1 (0.66) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL5081647 0.81 MEN1 (0.64) MAPTALDH1A1NPSR1CACNA1BAPBA1
SCHEMBL9304659 0.81 MEN1 (0.52) MAPTALDH1A1GAAALOX12HPGD
SCHEMBL9303944 0.75 MEN1 (0.49) MAPTALDH1A1NPSR1GAAMEN1
SCHEMBL17289272 0.71 ALDH1A1 (0.59) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL17796945 0.71 ALDH1A1 (0.59) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL7582583 0.70 MAPT (1.00) MAPTALDH1A1NPSR1CACNA1BAPBA1
SCHEMBL16107854 0.69 L3MBTL1 (0.64) MAPTALDH1A1NPSR1GAAALOX12
SCHEMBL29211172 0.69 MYC (0.49) MAPTALDH1A1ALOX12HPGDLMNA
SCHEMBL9282551 0.69 ALDH1A1 (0.52) MAPTALDH1A1ALOX12HPGDLMNA

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-6719520-B2 FOR INHIBITION OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3); TREATMENT AND PROPHYLAXIS FOR DIABETES, CHRONIC NEURODEGENERATIVE CONDITIONS, MOOD DISORDERS SUCH AS SCHIZOPHRENIA AND MANIC DEPRESSION AND HAIR LOSS AND CANCER SMITHKLINE BEECHAM CORPORATION 2004-04-13 US disclosed