SCHEMBL17174097

SCHEMBL17174097

O=S(=O)(O)c1ccc(-c2ccc3ccc4ccc(-c5cc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)cc(S(=O)(=O)O)c5)nc4c3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PHGDH O43175 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SNCA P37840 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL17174112 0.94 ALDH1A1 (0.41) PARP1SMN1; SMN2TSHRPHGDHHDAC6
SCHEMBL17174094 0.93 PARP1 (0.48) PARP1SMN1; SMN2TSHRPHGDHCA12
SCHEMBL17174090 0.90 PARP1 (0.46) PARP1SMN1; SMN2TSHRPHGDHCA12
SCHEMBL17174089 0.90 ALDH1A1 (0.43) PARP1SMN1; SMN2TSHRPHGDHCA12
SCHEMBL17174096 0.87 PARP1 (0.48) PARP1SMN1; SMN2TSHRPHGDHCA12
SCHEMBL17178114 0.85 ALDH1A1 (0.41) PARP1SMN1; SMN2TSHRHDAC6TDP1
SCHEMBL17178116 0.82 TDP1 (0.43) PARP1SMN1; SMN2TSHRHDAC6TDP1
SCHEMBL17174066 0.80 KDM4E (0.57) SMN1; SMN2TSHRCA1CA2CA9
SCHEMBL17146607 0.80 KDM4E (0.57) SMN1; SMN2TSHRCA1CA2CA9
SCHEMBL17146614 0.80 KDM4E (0.53) PARP1SMN1; SMN2TSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9748593-B2 Polymer electrolyte composition, and polymer electrolyte membrane, membrane electrode complex and solid polymer-type fuel cell each produced using same TORAY INDUSTRIES, INC. (JP) 2017-08-29 — — US disclosed
US-9748593-B2 Polymer electrolyte composition, and polymer electrolyte membrane, membrane electrode complex and solid polymer-type fuel cell each produced using same TORAY INDUSTRIES, INC. (JP) 2017-08-29 — — US disclosed
US-20150295262-A1 POLYMER ELECTROLYTE COMPOSITION, AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE ELECTRODE COMPLEX AND SOLID POLYMER-TYPE FUEL CELL EACH PRODUCED USING SAME TORAY INDUSTRIES, INC. (JP) 2015-10-15 — — US disclosed
US-20150295262-A1 POLYMER ELECTROLYTE COMPOSITION, AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE ELECTRODE COMPLEX AND SOLID POLYMER-TYPE FUEL CELL EACH PRODUCED USING SAME TORAY INDUSTRIES, INC. (JP) 2015-10-15 — — US disclosed
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