SCHEMBL12643226

SCHEMBL12643226

C=C(C)C(=O)Oc1ccc(N)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.53
▸ EP300 Q09472 2/20 0.51
▸ KAT8 Q9H7Z6 2/20 0.51
▸ ELANE P08246 1/20 0.44
▸ HDAC3 O15379 1/20 0.40
▸ KAT2B Q92831 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NCEH1 Q6PIU2 1/20 0.39
▸ HTT P42858 2/20 0.37
▸ LMNA P02545 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ NEK2 P51955 1/20 0.37
▸ LIMK1 P53667 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ CLK4 Q9HAZ1 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
SCHEMBL30226858 0.89 ELANE (0.51) ELANETSHRPKMNPC1RAB9A
SCHEMBL15302940 0.89 ELANE (0.51) ELANETSHRPKMNPC1RAB9A
SCHEMBL15302579 0.83 PLK1 (0.50) IDO1EP300KAT8ELANETSHR
SCHEMBL10870084 0.82 ELANE (0.47) ELANETSHRPKMNPC1RAB9A
SCHEMBL30226566 0.81 ESR1 (0.49) IDO1ELANETSHRPKMNPC1
SCHEMBL4824369 0.81 ESR1 (0.49) IDO1ELANETSHRPKMNPC1
SCHEMBL13588241 0.81 HTT (0.45) ELANETSHRPKMNPC1RAB9A
SCHEMBL13588217 0.80 PLK1 (0.44) ELANETSHRPKMNPC1RAB9A
SCHEMBL18837420 0.80 HSD17B10 (0.47) IDO1ELANETSHRPKMNPC1
SCHEMBL28034274 0.79 ELANE (0.35) IDO1EP300KAT8ELANETSHR

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
EP-2330161-A1 Dye composition for ophthalmic lens, method for producing colored ophthalmic lens using the same, and colored ophthalmic lens Menicon Co., Ltd. (JP) 2011-06-08 — — EP disclosed
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