SCHEMBL10053199

SCHEMBL10053199

Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N5C(=O)c6ccc(-c7ccc8c(c7)C(=O)N(C)C8=O)cc6C5=O)cc4)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 5/20 0.52
CA1 P00915 4/20 0.52
CA12 O43570 3/20 0.52
CA2 P00918 3/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 2/20 0.45
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
RAB9A P51151 1/20 0.45
CASP7 P55210 1/20 0.45
BRD4 O60885 1/20 0.43

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
SCHEMBL13018339 0.99 CA9 (0.51) CA9CA1CA12CA2MEN1
SCHEMBL2606190 0.93 MEN1 (0.58) CA9CA1CA12CA2MEN1
SCHEMBL14005760 0.93 CA9 (0.54) CA9CA1CA12CA2MEN1
SCHEMBL16521230 0.93 CA9 (0.59) CA9CA1CA12CA2MEN1
SCHEMBL16591494 0.92 MEN1 (0.56) CA9CA1CA12CA2MEN1
SCHEMBL7594849 0.92 MEN1 (0.54) CA9CA1CA12CA2MEN1
SCHEMBL13018338 0.90 MEN1 (0.53) CA9CA1CA12CA2MEN1
SCHEMBL13018341 0.90 MEN1 (0.53) CA9CA1CA12CA2MEN1
SCHEMBL25751090 0.90 MEN1 (0.53) CA9CA1CA12CA2MEN1
SCHEMBL13018340 0.90 MEN1 (0.53) CA9CA1CA12CA2MEN1

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
US-8779085-B2 Modified polyimide and method for producing modified polyimide PI R&D CO., LTD. (JP) 2014-07-15 US disclosed
US-20120097439-A1 MODIFIED POLYIMIDE AND METHOD FOR PRODUCING MODIFIED POLYIMIDE PI R&D CO., LTD. (JP) 2012-04-26 US disclosed