SCHEMBL17178155

SCHEMBL17178155

c1ccc(Oc2cccc(-c3ccc4ccc5ccc(-c6cc(Oc7ccccc7)cc(-c7ccc8ccc9ccc(-c%10cccc(Oc%11ccccc%11)c%10)nc9c8n7)c6)nc5c4n3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.45
▸ MAP4K4 O95819 4/20 0.44
▸ SDHB P21912 1/20 0.42
▸ DHODH Q02127 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ MAPK13 O15264 1/20 0.38
▸ GCGR P47871 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 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
SCHEMBL17178156 0.97 MAP4K4 (0.46) P2RX3MAP4K4SDHBDHODHMAPK1
SCHEMBL17174121 0.92 P2RX3 (0.45) P2RX3MAP4K4SDHBDHODHALDH1A1
SCHEMBL11962332 0.91 MCL1 (0.47) P2RX3MAP4K4SDHBDHODHMAPK1
SCHEMBL17174117 0.91 MCL1 (0.47) P2RX3DHODHMAPK1TDP1PARP1
SCHEMBL17174120 0.89 MCL1 (0.48) MAPK1TDP1PARP1MAOBMEN1
SCHEMBL17174119 0.89 NPC1 (0.47) DHODHMAPK1TDP1PARP1MEN1
SCHEMBL17174130 0.89 MCL1 (0.48) MAPK1TDP1PARP1MAOBMEN1
SCHEMBL17146619 0.89 TOP1 (0.49) P2RX3MAP4K4TDP1PARP1ALDH1A1
SCHEMBL17174124 0.88 P2RX3 (0.44) P2RX3MAP4K4SDHBDHODHMAPK1
SCHEMBL17146621 0.84 CCR1 (0.46) MAP4K4TDP1GAAMEN1ALDH1A1

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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