SCHEMBL10716620

SCHEMBL10716620

NC(=O)c1cnc(NC=C(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.46
▸ PKM P14618 2/20 0.44
▸ P4HTM Q9NXG6 2/20 0.38
▸ SIRT6 Q8N6T7 2/20 0.36
▸ CA2 P00918 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ VNN1 O95497 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ NCOR1 O75376 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ RAB9A P51151 1/20 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
SCHEMBL10716578 0.82 PKM (0.49) MAPTPKMP4HTMHDAC3HDAC1
SCHEMBL10726196 0.77 PKM (0.52) MAPTPKMCA2CA1CA4
SCHEMBL10730568 0.76 PKM (0.51) MAPTPKMCA2CA1CA4
SCHEMBL10726333 0.76 PKM (0.48) MAPTPKMP4HTMCA2CA1
SCHEMBL10716446 0.76 MAPT (0.50) MAPTPKMVNN1ALDH1A1LMNA
SCHEMBL10726719 0.75 PKM (0.52) MAPTPKMCA2CA1CA4
SCHEMBL10717754 0.75 ALDH1A1 (0.52) MAPTPKMCA2CA1CA4
SCHEMBL10730881 0.74 MAPT (0.54) MAPTPKMALDH1A1LMNAPOLB
SCHEMBL10730985 0.73 MAPT (0.52) MAPTPKMALDH1A1LMNAPOLB
SCHEMBL10716583 0.73 MAPT (0.56) MAPTPKMCA2CA1CA4

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
US-4659727-A ANTIARTHRITIC AGENTS MAY & BAKER LIMITED (GB) 1987-04-21 — — US disclosed
EP-0174832-A2 Ethene derivatives MAY & BAKER LIMITED (GB) 1986-03-19 — — EP disclosed
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