SCHEMBL20370952

SCHEMBL20370952

CN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(c1ccc(-c2ccc(N4C(=O)c5ccc6c7c(ccc(c57)C4=O)C(=O)N(C)C6=O)cc2S(=O)(=O)O)cc1)C3=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.45
▸ APAF1 O14727 1/20 0.45
▸ CA9 Q16790 7/20 0.44
▸ CA1 P00915 5/20 0.44
▸ CA12 O43570 4/20 0.44
▸ CA2 P00918 4/20 0.44
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ESR1 P03372 2/20 0.37
▸ ESR2 Q92731 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TAF1 P21675 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ USP2 O75604 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
SCHEMBL15695618 0.94 CA9 (0.42) POLBAPAF1CA9CA1CA12
SCHEMBL15196656 0.91 CA9 (0.45) POLBAPAF1CA9CA1CA12
SCHEMBL15695616 0.86 CA9 (0.45) POLBCA9CA1CA12CA2
SCHEMBL13254679 0.86 CA9 (0.44) POLBAPAF1CA9CA1CA12
SCHEMBL12301834 0.83 ALDH1A1 (0.38) POLBCA9CA1CA12CA2
SCHEMBL15695621 0.83 CA9 (0.41) POLBAPAF1CA9CA1CA12
SCHEMBL17169252 0.81 MEN1 (0.47) POLBCA9CA1CA12CA2
SCHEMBL13283609 0.80 CA9 (0.47) POLBCA9CA1CA12CA2
SCHEMBL12531502 0.79 ALDH1A1 (0.38) POLBAPAF1CA9CA1CA12
SCHEMBL13254677 0.78 CA9 (0.40) POLBAPAF1CA9CA1CA12

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-20180198149-A1 POLYPHENYLSULFONE-BASED PROTON CONDUCTING POLYMER ELECTROLYTE, PROTON CONDUCTING SOLID POLYMER ELECTROLYTE MEMBRANE, ELECTRODE CATALYST LAYER FOR SOLID POLYMER FUEL CELLS, METHOD FOR PRODUCING ELECTRODE CATALYST LAYER FOR SOLID POLYMER FUEL CELLS, AND FUEL CELL NATIONAL INSTITUTE FOR MATERIALS SCIENCE (JP) 2018-07-12 — — US disclosed
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