SCHEMBL8996239

SCHEMBL8996239

N#C/C(=C\c1cc(O)c(O)cc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 2/20 0.73
▸ MAPT P10636 6/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ TP53 P04637 4/20 0.53
▸ THRB P10828 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ PKM P14618 2/20 0.53
▸ CA12 O43570 2/20 0.48
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ ERBB2 P04626 2/20 0.47
▸ PSMD14 O00487 1/20 0.47
▸ RGS12 O14924 1/20 0.47
▸ GMNN O75496 1/20 0.47

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
SCHEMBL8996086 1.00 FTO (0.73) FTOMAPTMEN1KMT2AALDH1A1
SCHEMBL8996027 0.84 FTO (1.00) FTOMAPTMEN1KMT2AALDH1A1
SCHEMBL8996033 0.79 FTO (0.61) FTOMAPTMEN1KMT2AALDH1A1
SCHEMBL8996053 0.79 FTO (0.78) FTOMAPTMEN1KMT2AALDH1A1
SCHEMBL8996037 0.78 EGFR (0.76) FTOMAPTMEN1KMT2AALDH1A1
SCHEMBL8996006 0.75 FTO (0.59) FTOMAPTMEN1KMT2AALDH1A1
SCHEMBL8995993 0.74 FTO (0.76) FTOMAPTMEN1KMT2AALDH1A1
SCHEMBL8996019 0.74 FTO (0.76) FTOMAPTMEN1KMT2AALDH1A1
SCHEMBL8996015 0.73 FTO (0.74) FTOMAPTMEN1KMT2AALDH1A1
SCHEMBL8996090 0.72 FTO (0.73) FTOMAPTMEN1KMT2AALDH1A1

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-5514711-A ANTICARCINOGENIC AGENTS; SIDE EFFECT REDUCTION MITSUBISHI CHEMICAL CORPORATION (JP) 1996-05-07 — — US disclosed
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