SCHEMBL17178182

SCHEMBL17178182

c1ccc(Oc2cc3ccc(-c4cccc(-c5ccc6cc(Oc7ccccc7)c7cccnc7c6n5)c4)nc3c3ncccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.44
▸ MAP4K4 O95819 1/20 0.41
▸ ADORA1 P30542 1/20 0.39
▸ MAPT P10636 3/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ GRIN3A Q8TCU5 1/20 0.36
▸ CCR1 P32246 2/20 0.35
▸ CCR8 P51685 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL17174179 0.96 TOP1 (0.45) TOP1MAP4K4ADORA1MAPTRAB9A
SCHEMBL17174181 0.93 CCR1 (0.48) TOP1MAP4K4ADORA1MAPTRAB9A
SCHEMBL17146619 0.80 TOP1 (0.49) TOP1MAP4K4MAPTRAB9ACYP11B1
SCHEMBL17174182 0.78 NPC1 (0.36) TOP1MAPTRAB9ACCR1CCR8
SCHEMBL17174183 0.78 NPC1 (0.36) TOP1MAPTCCR1CCR8L3MBTL1
SCHEMBL17178120 0.78 ALDH1A1 (0.54) TOP1MAPTPOLBNPSR1L3MBTL1
SCHEMBL21031252 0.77 CCR1 (0.57) TOP1MAPTCCR1CCR8L3MBTL1
SCHEMBL17146627 0.76 CCR1 (0.38) TOP1MAPTRAB9ACCR1CCR8
SCHEMBL17178179 0.76 NPC1 (0.35) TOP1MAP4K4MAPTRAB9ANPSR1
SCHEMBL17178122 0.76 TOP1 (0.37) TOP1MAPTCCR1CCR8L3MBTL1

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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