SCHEMBL11015134

SCHEMBL11015134

CON(C)C(=O)Nc1cccc(C#CC(C)(C)O)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ EGFR P00533 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ LMNA P02545 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PTPN11 Q06124 2/20 0.41
▸ PDK1 Q15118 2/20 0.41
▸ PDK2 Q15119 2/20 0.41
▸ PDK3 Q15120 2/20 0.41
▸ PDK4 Q16654 2/20 0.41
▸ HAO1 Q9UJM8 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ PTPN1 P18031 1/20 0.36
▸ PTPRB P23467 1/20 0.36
▸ PTPN6 P29350 1/20 0.36

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
SCHEMBL11008836 0.87 TP53 (0.52) EGFRLMNAL3MBTL1PTPN11PDK1
SCHEMBL11169022 0.84 PTPN11 (0.58) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL11012233 0.81 MEN1 (0.38) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL11013779 0.81 PTPN11 (0.48) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL11012050 0.80 MEN1 (0.50) MEN1KMT2AEGFRTDP1PKM
SCHEMBL845317 0.80 GRM5 (0.52) MEN1KMT2AEGFRRAB9AL3MBTL1
SCHEMBL10673371 0.76 TP53 (0.55) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL11164935 0.74 RAB9A (0.55) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL10425911 0.74 ALDH1A1 (0.57) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL11195584 0.73 MEN1 (0.52) MEN1KMT2ATDP1PKMRAB9A

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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