SCHEMBL11012233

SCHEMBL11012233

CCONC(=O)C(C)(C)C#Cc1cccc(NC(=O)N(C)OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ PTPN11 Q06124 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPK1 P28482 2/20 0.33

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
SCHEMBL11015134 0.81 MEN1 (0.45) MEN1KMT2ARAB9ATDP1PKM
SCHEMBL11169022 0.76 PTPN11 (0.58) MEN1KMT2ARAB9ATDP1PKM
SCHEMBL11013779 0.73 PTPN11 (0.48) MEN1KMT2ARAB9ATDP1PKM
SCHEMBL11012050 0.72 MEN1 (0.50) MEN1KMT2ARAB9ATDP1PKM
SCHEMBL11008836 0.69 TP53 (0.52) PDK1PDK2PDK3PDK4PTPN11
SCHEMBL10673371 0.69 TP53 (0.55) MEN1KMT2ARAB9ATDP1PKM
SCHEMBL10664268 0.68 KMT2A (0.59) MEN1KMT2ARAB9ATDP1PKM
SCHEMBL9407041 0.67 MEN1 (0.44) MEN1KMT2ARAB9ATDP1PKM
SCHEMBL11164935 0.67 RAB9A (0.55) MEN1KMT2ARAB9ATDP1PKM
SCHEMBL10425911 0.67 ALDH1A1 (0.57) MEN1KMT2ARAB9ATDP1PKM

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-4519834-A Herbicidal ethynyl-phenylureas CIBA-GEIGY CORPORATION (US) 1985-05-28 — — US claimed
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