SCHEMBL2669047

SCHEMBL2669047

C/C(S)=N/C(=N)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ F12 P00748 1/20 0.39
▸ F7 P08709 1/20 0.39
▸ F3 P13726 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA13 Q8N1Q1 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ BLM P54132 1/20 0.38
▸ RECQL P46063 2/20 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
SCHEMBL22744840 0.82 F2 (0.42) F2F10F12F7F3
SCHEMBL17117437 0.80 LMNA (0.45) F2F10F12F7F3
SCHEMBL22606319 0.78 F2 (0.50) F2F10F12F7F3
SCHEMBL17400227 0.78 F2 (0.39) F2F10F12F7F3
SCHEMBL23134314 0.75 ALDH1A1 (0.42) F2F10F12F7F3
SCHEMBL23315016 0.75 F2 (0.37) F2F10F12F7F3
SCHEMBL21589946 0.74 CA12 (0.50) CA12CA1CA2CA3CA4
SCHEMBL22692448 0.74 CA12 (0.39) CA12CA1CA2CA3CA4
SCHEMBL18159970 0.72 F2 (0.38) F2F10F12F7F3
SCHEMBL24727213 0.72 BLM (0.38) F2F10F12F7F3

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
WO-2009133687-A1 CYCLOPENTYLACRYLIC ACID AMIDE DERIVATIVE 杏林製薬株式会社 (JP) 2009-11-05 — — WO disclosed
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