SCHEMBL13258133

SCHEMBL13258133

CNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(C)cc3SOOO)c(S(=O)(=O)O)c1)C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.42
▸ CA2 P00918 5/20 0.42
▸ CA9 Q16790 5/20 0.41
▸ CA12 O43570 4/20 0.41
▸ CA4 P22748 3/20 0.39
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ S100B P04271 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CA7 P43166 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HPSE Q9Y251 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL13283627 0.87 CA9 (0.51) CA1CA2CA9CA12CA4
SCHEMBL13258138 0.83 ALDH1A1 (0.39) CA1CA2CA9CA12CA4
SCHEMBL15695620 0.82 CA9 (0.47) CA1CA2CA9CA12CA4
SCHEMBL13258144 0.82 ALDH1A1 (0.36) CA1CA2CA9CA12NPSR1
SCHEMBL12531502 0.77 ALDH1A1 (0.38) CA1CA2CA9CA12CA4
SCHEMBL10020305 0.76 KMT2A (0.33) HTTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL13155491 0.75 CA9 (0.65) CA1CA2CA9CA12CA4
SCHEMBL15397059 0.73 NPSR1 (0.57) CA1CA2CA9CA12HTT
SCHEMBL13258136 0.72 POLB (0.37) HTTALDH1A1RAB9AHSD17B10MEN1
SCHEMBL10098928 0.72 CA9 (0.60) CA1CA2CA9CA12CA4

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
US-20100190015-A1 Organic Polymer Compound, Optical Film and Method of Production Thereof CRYSOPTIX KK (JP) 2010-07-29 — — US disclosed
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