SCHEMBL19615619

SCHEMBL19615619

O=C(O)c1ccnc(/C(COCCc2ccccc2)=N/OC2CCCCO2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CA2 P00918 7/20 0.39
▸ CA1 P00915 6/20 0.39
▸ CA12 O43570 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ KDM4C Q9H3R0 8/20 0.36
▸ KDM5A P29375 5/20 0.36
▸ KDM5B Q9UGL1 5/20 0.36
▸ KDM5C P41229 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ KDM4A O75164 3/20 0.35
▸ KDM2A Q9Y2K7 3/20 0.35
▸ KDM6B O15054 2/20 0.35
▸ KDM3A Q9Y4C1 2/20 0.35
▸ TET3 O43151 1/20 0.35
▸ BBOX1 O75936 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ASPH Q12797 1/20 0.35

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
SCHEMBL19615743 0.91 CA2 (0.40) MEN1KMT2ACA2CA1CA12
SCHEMBL19616073 0.89 KMT2A (0.41) MEN1KMT2ACA2CA1CA12
SCHEMBL19616087 0.87 MEN1 (0.41) MEN1KMT2ACA2CA1CA12
SCHEMBL19631830 0.87 MEN1 (0.42) MEN1KMT2ACA2CA1CA12
SCHEMBL19615934 0.86 KDM2B (0.40) MEN1KMT2ACA2CA1CA12
SCHEMBL19615910 0.86 MEN1 (0.46) MEN1KMT2ACA2CA1CA12
SCHEMBL19632168 0.85 KDM4C (0.43) MEN1KMT2ACA2CA1CA12
SCHEMBL19615741 0.85 MEN1 (0.39) MEN1KMT2ACA2CA1CA12
SCHEMBL19615817 0.85 MEN1 (0.44) MEN1KMT2ACA2CA1CA12
SCHEMBL19632113 0.84 KDM1A (0.42) MEN1KMT2A

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
WO-2017198785-A1 OXIME DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASE KDM4C IEO - ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2017-11-23 — — WO disclosed
WO-2017198785-A1 OXIME DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASE KDM4C IEO - ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2017-11-23 — — WO disclosed
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