SCHEMBL11269792

SCHEMBL11269792

CN(C)C=C1C(=O)N(c2cccc(Cl)c2)C(=O)N1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOX4 Q9NPH5 3/20 0.51
▸ NOX1 Q9Y5S8 3/20 0.51
▸ MGLL Q99685 1/20 0.44
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ GAA P10253 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ BCL2A1 Q16548 1/20 0.41
▸ PGR P06401 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ AMY1A P0DUB6 1/20 0.39
▸ CASP6 P55212 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38

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
SCHEMBL11269789 1.00 NOX4 (0.51) NOX4NOX1MGLLKMT2AMEN1
SCHEMBL11275254 0.86 HSP90AA1 (0.46) NOX4NOX1MGLLKMT2AMEN1
SCHEMBL11275245 0.86 HSP90AA1 (0.46) NOX4NOX1MGLLKMT2AMEN1
SCHEMBL10509799 0.86 NOX4 (0.49) NOX4NOX1MGLLKMT2AMEN1
SCHEMBL11277409 0.84 MEN1 (0.51) NOX4NOX1MGLLKMT2AMEN1
SCHEMBL11277401 0.84 MEN1 (0.51) NOX4NOX1MGLLKMT2AMEN1
SCHEMBL11277679 0.84 ALDH1A1 (0.49) NOX4NOX1KMT2AMEN1GAA
SCHEMBL11277684 0.84 ALDH1A1 (0.49) NOX4NOX1KMT2AMEN1GAA
SCHEMBL11282741 0.83 BCL2A1 (0.52) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL11282746 0.83 BCL2A1 (0.52) KMT2AMEN1GAAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4345935-A PREEMERGENT AND POSTEMERGENT APPLICATION ELI LILLY AND COMPANY (US) 1982-08-24 — — US disclosed
US-4345936-A Imidazoles, compositions and herbicidal method ELI LILLY AND COMPANY (US) 1982-08-24 — — US disclosed
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