SCHEMBL17174131

SCHEMBL17174131

O=S(=O)(O)Oc1ccc(-c2ccc3ccc4ccc(-c5cc(O)cc(-c6ccc7ccc8ccc(-c9ccc(O)cc9)nc8c7n6)c5)nc4c3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 1/20 0.43
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ AR P10275 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ ALK Q9UM73 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ HSD17B1 P14061 1/20 0.33

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
SCHEMBL17174138 0.91 MAPT (0.41) CISD1ESR1ESR2GLAGAA
SCHEMBL19287852 0.89 GLA (0.42) CISD1ESR1ESR2GLAGAA
SCHEMBL17146660 0.84 PARP1 (0.41) GLAGAAPARP1ALDH1A1NPC1
SCHEMBL17174074 0.83 ESR1 (0.55) ESR1ESR2ARMAPTALK
SCHEMBL19287892 0.83 PARP1 (0.45) GLAGAAPARP1ALDH1A1MEN1
SCHEMBL17174218 0.80 KDM4E (0.42) CISD1GAAMAPTALDH1A1MEN1
SCHEMBL17174073 0.77 MEN1 (0.54) ESR1ESR2ARPARP1MAPT
SCHEMBL17146624 0.76 GLA (0.38) CISD1GLAGAAPARP1MAPT
SCHEMBL17174141 0.75 GLA (0.39) GLAGAAPARP1MAPTALDH1A1
SCHEMBL31403407 0.74 MAPT (0.60) ESR1ESR2ARMAPTALK

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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