SCHEMBL13611367

SCHEMBL13611367

CC(=O)Nc1cc(Nc2nc(Cl)nc(Nc3ccc(S(=O)(=O)CCO)cc3)n2)ccc1/N=N/c1cc2c(S)cc(S)cc2cc1S

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ CA12 O43570 15/20 0.37
▸ CA1 P00915 15/20 0.37
▸ CA2 P00918 15/20 0.37
▸ CA9 Q16790 15/20 0.37
▸ CA14 Q9ULX7 6/20 0.37
▸ CA5A P35218 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ APBA1 Q02410 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ FUT8 Q9BYC5 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ NPR3 P17342 1/20 0.32

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
SCHEMBL14087850 0.81 FUT8 (0.43) POLBCA12CA1CA2CA9
SCHEMBL14222100 0.77 POLB (0.32) POLBCA12CA1CA2CA9
SCHEMBL13604556 0.74 CA12 (0.33) POLBCA12CA1CA2CA9
SCHEMBL13604784 0.72 CA12 (0.31) CA12CA1CA2CA9CA14
SCHEMBL17384276 0.71 POLB (0.40) POLBCA12CA1CA2CA9
SCHEMBL14400234 0.70 FUT8 (0.45) POLBCA12CA1CA2CA9
SCHEMBL13604284 0.70 FUT8 (0.35) POLBCA12CA1CA2CA9
SCHEMBL9154680 0.70 FUT8 (0.46) POLBCA12CA1CA2CA9
SCHEMBL14159929 0.70 POLB (0.47) POLBCA12CA1CA2CA9
SCHEMBL15985825 0.70 ATIC (0.39) POLBCA12CA1CA2CA9

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
US-20090320217-A1 MIXTURES OF FIBRE-REACTIVE AZO DYES DYSTAR TEXTIFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-12-31 — — US disclosed
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