SCHEMBL7830817

SCHEMBL7830817

C=C(C)C(=O)Oc1ccc(N=Nc2c(O)c(OCC)cc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.41
▸ KMT2A Q03164 8/20 0.41
▸ MAPT P10636 5/20 0.41
▸ POLB P06746 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ RECQL P46063 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ IDO1 P14902 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ ELANE P08246 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ MITF O75030 1/20 0.36
▸ KCNH2 Q12809 2/20 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
SCHEMBL1802886 0.85 MAPT (0.47) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL373229 0.85 MAPT (0.47) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL718829 0.85 MAPT (0.47) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL373328 0.85 MAPT (0.47) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL373500 0.77 CYP1A2 (0.42) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL373234 0.76 CYP1A2 (0.48) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL7179285 0.76 CYP1A2 (0.48) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL7628851 0.75 ELANE (0.39) MEN1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL13609833 0.73 THRB (0.50) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL941110 0.73 ELANE (0.64) MEN1KMT2AMAPTKDM4EL3MBTL1

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-20010021759-A1 Polymeric colorant and colored material for ocular lens using the colorant MENICON CO., LTD. 2001-09-13 — — US disclosed
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