SCHEMBL13611632

SCHEMBL13611632

C=CS(=O)(=O)CCOCCNc1nc(F)nc(Nc2ccc(/N=N/c3cc4c(S)cc(S)cc4cc3S)c(NC(N)=O)c2)n1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNH3 Q9ULD8 3/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL18801944 0.91 KCNH3 (0.33) KCNH3CA12CA1CA2CA3
SCHEMBL13881094 0.84 CA12 (0.33) KCNH3CA12CA1CA2CA3
SCHEMBL13604784 0.81 CA12 (0.31) CA12CA1CA2CA3CA4
SCHEMBL13604272 0.81 KCNH3 (0.33) KCNH3CA12CA1CA2CA3
SCHEMBL13611634 0.81 KCNH3 (0.32) KCNH3CA12CA1CA2CA3
SCHEMBL13604277 0.81 KCNH3 (0.31) KCNH3
SCHEMBL13604623 0.80 KIF11 (0.32) —
SCHEMBL18801519 0.80 KCNH3 (0.33) KCNH3CA12CA1CA2CA3
SCHEMBL13823097 0.74 ATIC (0.36) KCNH3MEN1KMT2A
SCHEMBL14134398 0.73 KCNH3 (0.37) KCNH3CA12CA1CA2CA3

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
Send feedback