SCHEMBL13901307

SCHEMBL13901307

CC(=N)c1cccc(OC[C@H](Cc2ccc(OC3CCN(C(C)=N)CC3)cc2)NS(=O)(=O)c2ccccc2C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 18/20 0.47
▸ F2 P00734 3/20 0.39
▸ RORC P51449 1/20 0.38
▸ PLAU P00749 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37

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
SCHEMBL14131878 0.94 F10 (0.54) F10F2KCNH2
Trifluoroacetic Acid SCHEMBL3903203 0.91 F10 (0.53) F10F2KCNH2
SCHEMBL14132093 0.85 F10 (0.56) F10F2PLAUKCNH2
SCHEMBL14132072 0.84 F10 (0.57) F10F2PLAUKCNH2
Trifluoroacetic Acid SCHEMBL3896012 0.83 F10 (0.56) F10F2PLAUKCNH2
SCHEMBL14132091 0.81 F10 (0.54) F10F2PLAUKCNH2
Trifluoroacetic Acid SCHEMBL3902709 0.81 F10 (0.56) F10F2PLAUKCNH2
SCHEMBL14132320 0.81 F10 (0.52) F10F2PLAU
SCHEMBL14132241 0.81 F10 (0.57) F10F2PLAUKCNH2
Trifluoroacetic Acid SCHEMBL3896414 0.80 F10 (0.53) F10F2PLAU

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-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 — — EP disclosed
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