SCHEMBL29372795

SCHEMBL29372795

CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)c(I)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 15/20 0.65
▸ CA12 O43570 14/20 0.65
▸ CA1 P00915 9/20 0.65
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ HTT P42858 2/20 0.52
▸ RAB9A P51151 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ SLC22A6 Q4U2R8 1/20 0.51
▸ SLC22A8 Q8TCC7 1/20 0.51
▸ ABCC2 Q92887 1/20 0.51
▸ SLC22A12 Q96S37 1/20 0.51
▸ UGT1A7 Q9HAW7 1/20 0.51
▸ SLC22A11 Q9NSA0 1/20 0.51
▸ LMNA P02545 1/20 0.51

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
SCHEMBL29374846 0.92 ALDH1A1 (0.63) CA9CA12CA1MEN1KMT2A
SCHEMBL22516324 0.81 HTT (0.65) CA9CA12CA1MEN1KMT2A
SCHEMBL12585053 0.80 CA9 (0.79) CA9CA12CA1MEN1KMT2A
SCHEMBL22516198 0.80 CA2 (0.68) CA9CA12CA1MEN1KMT2A
SCHEMBL17947763 0.78 CA9 (0.90) CA9CA12CA1MEN1KMT2A
SCHEMBL15838864 0.77 MAPT (0.67) CA9CA12CA1MEN1KMT2A
SCHEMBL16615492 0.77 ALDH1A1 (0.76) CA9CA12CA1MEN1KMT2A
SCHEMBL22516280 0.76 ALDH1A1 (0.60) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL29375406 0.76 ALDH1A1 (0.60) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL6929643 0.75 CA9 (0.74) CA9CA12CA1MEN1KMT2A

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-3946301-A1 REMODILINS FOR AIRWAY REMODELING AND ORGAN FIBROSIS The University of Chicago (US) 2022-02-09 — — EP disclosed
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