SCHEMBL27955272

SCHEMBL27955272

Nc1c(I)cc(OC=O)cc1I

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.41
▸ CA2 P00918 4/20 0.41
▸ CA9 Q16790 4/20 0.41
▸ CA3 P07451 1/20 0.31
▸ SIRT1 Q96EB6 1/20 0.30

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
SCHEMBL18573171 0.76 ALDH1A1 (0.32) —
SCHEMBL27985821 0.75 ERN1 (0.32) —
SCHEMBL15626625 0.75 ALDH1A1 (0.37) —
SCHEMBL27687299 0.75 NR4A1 (0.33) —
SCHEMBL15358720 0.75 ALDH1A1 (0.32) —
SCHEMBL28854151 0.74 CBFB (0.33) —
SCHEMBL27634444 0.74 ERN1 (0.34) CA1CA2CA9
SCHEMBL28406606 0.73 ALDH1A1 (0.31) —
SCHEMBL27955269 0.71 MAPT (0.46) CA1CA2CA9CA3SIRT1
SCHEMBL28207671 0.71 ALDH1A1 (0.46) CA1CA2CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103748192-B Photoreactive compound 罗利克有限公司 2016-07-27 — — CN disclosed
CN-103748192-A Photoreactive compounds ROLIC AG 2014-04-23 — — CN disclosed
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