SCHEMBL11375192

SCHEMBL11375192

NCCNc1nc(Cl)nc(Nc2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 14/20 0.50
CA12 O43570 13/20 0.50
CA1 P00915 13/20 0.50
CA2 P00918 13/20 0.50
CA14 Q9ULX7 10/20 0.48
CA5A P35218 3/20 0.48
CA5B Q9Y2D0 3/20 0.48
CHAT P28329 3/20 0.42
USP2 O75604 1/20 0.42
APEX1 P27695 1/20 0.42
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA7 P43166 2/20 0.41
CA13 Q8N1Q1 2/20 0.41
FUT8 Q9BYC5 1/20 0.40
HPGDS O60760 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL15836276 0.94 CA1 (0.45) CA9CA12CA1CA2CA14
SCHEMBL12746219 0.90 CA1 (0.46) CA9CA12CA1CA2CA14
SCHEMBL12745398 0.90 CA1 (0.42) CA9CA12CA1CA2CA14
SCHEMBL15255510 0.90 CA9 (0.42) CA9CA12CA1CA2CA14
SCHEMBL15866074 0.89 CA1 (0.44) CA9CA12CA1CA2CA14
SCHEMBL14614511 0.89 CA1 (0.41) CA9CA12CA1CA2CA14
SCHEMBL1754899 0.88 CA9 (0.44) CA9CA12CA1CA2CA14
SCHEMBL12421835 0.86 LMNA (0.45) CA9CA12CA1CA2CA14
SCHEMBL12809705 0.86 CA1 (0.45) CA9CA12CA1CA2CA14
SCHEMBL1754808 0.86 GBA1 (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298839-B1 WEATHER-RESISTANT DYE AND THE USE THEREOF ZHUHAI NINESTAR MAN CO LTD (CN) 2017-05-31 EP disclosed
EP-0001629-B1 WATER-SOLUBLE, FIBRE-REACTIVE, GREEN AZO-PHTHALOCYANINE DYESTUFFS, THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1981-08-12 EP disclosed