SCHEMBL17174138

SCHEMBL17174138

O=S(=O)(O)Oc1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9ccc(O)cc9)nc8c7n6)c5)nc4c3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PARP1 P09874 2/20 0.41
▸ ESR1 P03372 3/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ AR P10275 1/20 0.39
▸ CISD1 Q9NZ45 1/20 0.39
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ NTSR1 P30989 1/20 0.37
▸ HSD17B1 P14061 2/20 0.36
▸ HSD17B2 P37059 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 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
SCHEMBL19287892 0.92 PARP1 (0.45) ALDH1A1PARP1GLAGAAMEN1
SCHEMBL17174131 0.91 CISD1 (0.43) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL17146660 0.86 PARP1 (0.41) ALDH1A1PARP1GLAGAANPC1
SCHEMBL19287852 0.85 GLA (0.42) MAPTALDH1A1PARP1ESR1ESR2
SCHEMBL17174141 0.85 GLA (0.39) MAPTALDH1A1HPGDPARP1GLA
SCHEMBL17174071 0.83 ALDH1A1 (0.59) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL17146624 0.83 GLA (0.38) MAPTALDH1A1HPGDPARP1CISD1
SCHEMBL17174068 0.80 MEN1 (0.56) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL19287828 0.78 KDM4E (0.43) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL17174089 0.76 ALDH1A1 (0.43) MAPTALDH1A1HSD17B10PARP1

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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