SCHEMBL13744544

SCHEMBL13744544

CNc1nc(Cl)nc(Nc2ccc(S(=O)(=O)O)c(N)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.49
▸ CA12 O43570 11/20 0.47
▸ CA1 P00915 11/20 0.47
▸ CA2 P00918 11/20 0.47
▸ CA9 Q16790 11/20 0.47
▸ CA14 Q9ULX7 6/20 0.47
▸ CA5A P35218 3/20 0.47
▸ CA4 P22748 2/20 0.47
▸ CA6 P23280 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA13 Q8N1Q1 2/20 0.47
▸ CHAT P28329 3/20 0.45
▸ USP2 O75604 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ HPGDS O60760 1/20 0.45
▸ TERT O14746 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ ENPP3 O14638 1/20 0.43
▸ ENPP1 P22413 1/20 0.43
▸ CA3 P07451 1/20 0.42

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 0.94 CA9 (0.49) CA12CA1CA2CA9CA14
SCHEMBL8571318 0.91 CA12 (0.52) CA12CA1CA2CA9CA14
SCHEMBL14271145 0.88 CA12 (0.59) LMNACA12CA1CA2CA9
SCHEMBL8960399 0.88 CA12 (0.57) CA12CA1CA2CA9CA14
SCHEMBL8418606 0.88 CHAT (0.56) CA12CA1CA2CA9CA14
SCHEMBL12720883 0.85 CA12 (0.44) CA12CA1CA2CA9CA14
SCHEMBL9333401 0.84 HPGDS (0.62) LMNACA12CA1CA2CA9
SCHEMBL10596472 0.84 CHAT (0.59) CA12CA1CA2CA9CA14
SCHEMBL14004239 0.84 CHAT (0.43) CA12CA1CA2CA9CA14
SCHEMBL14271148 0.84 HPGDS (0.52) LMNACA12CA1CA2CA9

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-7572301-B2 Fibre-reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2009-08-11 — — US disclosed
US-20080250575-A1 Fibre-Reactive Dyes, Their Preparation And Their Use HUNTSMAN INTERNATIONAL LLC 2008-10-16 — — US disclosed
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