SCHEMBL24019201

SCHEMBL24019201

Nc1cc(Nc2nc(Cl)nc(NCCOCCS(=O)(=O)CCCl)n2)ccc1S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 5/20 0.43
▸ CA12 O43570 4/20 0.43
▸ CA1 P00915 4/20 0.43
▸ CA2 P00918 4/20 0.43
▸ CA14 Q9ULX7 3/20 0.43
▸ CA5A P35218 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ KCNH3 Q9ULD8 3/20 0.38
▸ CHAT P28329 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ HPGDS O60760 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 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
SCHEMBL9803986 0.80 CA9 (0.49) CA9CA12CA1CA2CA14
SCHEMBL10391720 0.79 CA9 (0.49) CA9CA12CA1CA2CA14
SCHEMBL8571318 0.78 CA12 (0.52) CA9CA12CA1CA2CA14
SCHEMBL14013112 0.76 CA9 (0.51) CA9CA12CA1CA2CA14
SCHEMBL13744544 0.75 LMNA (0.49) CA9CA12CA1CA2CA14
SCHEMBL8418606 0.75 CHAT (0.56) CA9CA12CA1CA2CA14
SCHEMBL14271145 0.75 CA12 (0.59) CA9CA12CA1CA2CA14
SCHEMBL21239133 0.74 CHAT (0.45) CA9CA12CA1CA2CA14
SCHEMBL12720883 0.72 CA12 (0.44) CA9CA12CA1CA2CA14
SCHEMBL8951860 0.72 CA1 (0.50) CA9CA12CA1CA2CA14

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-3752649-B1 PROCESS FOR THE SIMULTANEOUS TANNING AND DYEING OF COLLAGEN CONTAINING FIBROUS MATERIAL HUNTSMAN ADV MAT SWITZERLAND (CH) 2021-11-17 — — EP disclosed
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