SCHEMBL17174179

SCHEMBL17174179

c1ccc(Oc2cc3ccc(-c4cccc(-c5ccc6ccc7cccnc7c6n5)c4)nc3c3ncccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.45
▸ MAPT P10636 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CCR1 P32246 5/20 0.39
▸ CCR8 P51685 5/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CCR5 P51681 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ GMNN O75496 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NFKB1 P19838 1/20 0.37

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
SCHEMBL17178182 0.96 TOP1 (0.44) TOP1MAPTRAB9ACCR1CCR8
SCHEMBL17174181 0.90 CCR1 (0.48) TOP1MAPTRAB9ACCR1CCR8
SCHEMBL17146619 0.84 TOP1 (0.49) TOP1MAPTRAB9ACCR1CCR8
SCHEMBL17146627 0.81 CCR1 (0.38) TOP1MAPTRAB9ACCR1CCR8
SCHEMBL17146621 0.80 CCR1 (0.46) TOP1MAPTRAB9ACCR1CCR8
SCHEMBL17146652 0.80 KDM4E (0.39) MAPTCCR1CCR8L3MBTL1CCR5
SCHEMBL17146647 0.80 SRC (0.39) TOP1MAPTRAB9ACCR1CCR8
SCHEMBL16852209 0.79 CCR1 (0.52) TOP1MAPTCCR1CCR8CCR5
SCHEMBL17174191 0.79 CCR1 (0.59) TOP1MAPTRAB9ACCR1CCR8
SCHEMBL599744 0.79 CCR1 (0.59) TOP1MAPTRAB9ACCR1CCR8

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 4 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-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
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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