SCHEMBL17178116

SCHEMBL17178116

O=S(=O)(O)c1cccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9cccc(S(=O)(=O)O)c9)nc8c7n6)c5)nc4c3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ PARP1 P09874 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KCNH2 Q12809 2/20 0.37
▸ SNCA P37840 1/20 0.36
▸ NAPRT Q6XQN6 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ MAP4K4 O95819 1/20 0.35
▸ GAA P10253 2/20 0.35

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
SCHEMBL17178114 0.97 ALDH1A1 (0.41) TDP1ALDH1A1TSHRHSD17B10PARP1
SCHEMBL17174096 0.95 PARP1 (0.48) TDP1ALDH1A1TSHRHSD17B10PARP1
SCHEMBL17174090 0.93 PARP1 (0.46) TDP1ALDH1A1TSHRHSD17B10PARP1
SCHEMBL17174089 0.89 ALDH1A1 (0.43) TDP1ALDH1A1TSHRHSD17B10PARP1
SCHEMBL17174094 0.86 PARP1 (0.48) TDP1ALDH1A1TSHRPARP1HDAC6
SCHEMBL17146614 0.84 KDM4E (0.53) TDP1ALDH1A1TSHRPARP1SMN1; SMN2
SCHEMBL17174097 0.82 PARP1 (0.43) TDP1ALDH1A1TSHRPARP1HDAC6
SCHEMBL17174112 0.81 ALDH1A1 (0.41) TDP1ALDH1A1TSHRHSD17B10PARP1
SCHEMBL17174066 0.79 KDM4E (0.57) TDP1ALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL17146607 0.79 KDM4E (0.57) TDP1ALDH1A1TSHRHSD17B10SMN1; SMN2

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-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
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