SCHEMBL10880929

SCHEMBL10880929

C=Cc1ccc(N2C(=O)C=CC2=O)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 3/20 0.54
▸ HPN P05981 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ PKM P14618 3/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ HSP90AA1 P07900 3/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NLRP1 Q9C000 1/20 0.42
▸ MGLL Q99685 10/20 0.41
▸ FAAH O00519 5/20 0.41
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL10664728 0.80 CCR6 (0.64) CCR6HPNALDH1A1MAPTPKM
SCHEMBL10586556 0.78 CCR6 (0.60) CCR6HPNALDH1A1MAPTPKM
SCHEMBL29510540 0.76 CCR6 (0.68) CCR6HPNALDH1A1MAPTPKM
SCHEMBL11646163 0.76 CCR6 (0.68) CCR6HPNALDH1A1MAPTPKM
SCHEMBL1936645 0.76 CCR6 (0.58) CCR6HPNALDH1A1MAPTPKM
SCHEMBL18919390 0.76 CCR6 (0.58) CCR6HPNALDH1A1MAPTPKM
SCHEMBL10960203 0.76 MGLL (0.48) ALDH1A1PKMMAPK1HSP90AA1TDP1
SCHEMBL9686217 0.75 HPGD (0.58) ALDH1A1MAPTMAPK1TDP1NPSR1
SCHEMBL10666460 0.73 CCR6 (0.54) CCR6HPNALDH1A1MAPTPKM
SCHEMBL5577178 0.73 CCR6 (0.66) CCR6HPNALDH1A1MAPTPKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0077840-B1 CURABLE RESIN COMPOSITION MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-07-02 — — EP disclosed
US-4506042-A MOLDING, LAMINATION, VARISH MITSUI TOATSU CHEMICALS, INC. (JP) 1985-03-19 — — US disclosed
US-4401777-A Curable resin composition comprising N-(alkenylphenyl)maleimide and epoxy composition MITSUI TOATSU CHEMICALS, INC. (JP) 1983-08-30 — — US disclosed
EP-0077840-A1 Curable resin composition MITSUI TOATSU CHEMICALS, Inc. (JP) 1983-05-04 — — EP disclosed
Send feedback