SCHEMBL11277684

SCHEMBL11277684

CN(C)C=C1C(=O)N(c2ccccc2)C(=O)N1C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ GAA P10253 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ NOX4 Q9NPH5 10/20 0.46
▸ CYBB P04839 7/20 0.46
▸ NOX1 Q9Y5S8 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL11277679 1.00 ALDH1A1 (0.49) ALDH1A1GAARECQLNOX4CYBB
SCHEMBL11283649 0.87 ALDH1A1 (0.51) ALDH1A1GAARECQLNOX4CYBB
SCHEMBL11283647 0.87 ALDH1A1 (0.51) ALDH1A1GAARECQLNOX4CYBB
SCHEMBL11274061 0.86 ELANE (0.47) ALDH1A1GAARECQLNOX4NOX1
SCHEMBL11274058 0.86 ELANE (0.47) ALDH1A1GAARECQLNOX4NOX1
SCHEMBL11277409 0.84 MEN1 (0.51) ALDH1A1GAARECQLNOX4NOX1
SCHEMBL11277401 0.84 MEN1 (0.51) ALDH1A1GAARECQLNOX4NOX1
SCHEMBL11269789 0.84 NOX4 (0.51) ALDH1A1GAANOX4NOX1KDM4E
SCHEMBL11275245 0.84 HSP90AA1 (0.46) ALDH1A1GAANOX4NOX1KDM4E
SCHEMBL11269792 0.84 NOX4 (0.51) ALDH1A1GAANOX4NOX1KDM4E

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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