SCHEMBL17178156

SCHEMBL17178156

c1ccc(Oc2cccc(-c3ccc4ccc5ccc(-c6cccc(-c7ccc8ccc9ccc(-c%10cccc(Oc%11ccccc%11)c%10)nc9c8n7)c6)nc5c4n3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 4/20 0.46
▸ SDHB P21912 1/20 0.44
▸ P2RX3 P56373 1/20 0.44
▸ DHODH Q02127 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PARP1 P09874 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAOB P27338 1/20 0.42
▸ LTA4H P09960 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ GSTP1 P09211 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MCL1 Q07820 2/20 0.39

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
SCHEMBL17178155 0.97 P2RX3 (0.45) MAP4K4SDHBP2RX3DHODHMAPK1
SCHEMBL11962332 0.94 MCL1 (0.47) MAP4K4SDHBP2RX3DHODHMAPK1
SCHEMBL17174120 0.92 MCL1 (0.48) MAPK1TDP1PARP1MAOBCYP11B1
SCHEMBL17174130 0.92 MCL1 (0.48) MAPK1TDP1PARP1MAOBCYP11B1
SCHEMBL17174124 0.91 P2RX3 (0.44) MAP4K4SDHBP2RX3DHODHMAPK1
SCHEMBL17174121 0.89 P2RX3 (0.45) MAP4K4SDHBP2RX3DHODH
SCHEMBL17174117 0.87 MCL1 (0.47) P2RX3DHODHMAPK1TDP1PARP1
SCHEMBL17146619 0.86 TOP1 (0.49) MAP4K4P2RX3TDP1PARP1TSHR
SCHEMBL17174119 0.85 NPC1 (0.47) DHODHMAPK1TDP1PARP1LTA4H
SCHEMBL29444828 0.84 MEN1 (0.56) PARP1TSHRMEN1RAB9AKMT2A

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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