SCHEMBL18801519

SCHEMBL18801519

CNc1cc(Nc2nc(F)nc(NCCOCCS(=O)(=O)CCCl)n2)ccc1N=Nc1cc2c(S)cc(S)cc2cc1S

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNH3 Q9ULD8 2/20 0.33
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 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 0.89 KCNH3 (0.33) KCNH3CA12CA1CA2CA3
SCHEMBL13611632 0.80 KCNH3 (0.33) KCNH3CA12CA1CA2CA3
SCHEMBL13604784 0.69 CA12 (0.31) CA12CA1CA2CA3CA4
SCHEMBL13604623 0.68 KIF11 (0.32) —
SCHEMBL13611634 0.68 KCNH3 (0.32) KCNH3CA12CA1CA2CA3
SCHEMBL13611367 0.65 POLB (0.40) CA12CA1CA2CA5ACA9
SCHEMBL13881094 0.65 CA12 (0.33) KCNH3CA12CA1CA2CA3
SCHEMBL24019201 0.64 CA9 (0.43) KCNH3CA12CA1CA2CA5A
SCHEMBL13604277 0.62 KCNH3 (0.31) KCNH3
SCHEMBL14134398 0.62 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
EP-2536791-B1 MIXTURES OF FIBRE-REACTIVE DYES AND THEIR USE IN A METHOD FOR DI- OR TRICHROMATIC DYEING OR PRINTING HUNTSMAN ADVANCED MAT (SWITZERLAND) GMBH (CH) 2017-05-03 — — EP disclosed
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