SCHEMBL17174175

SCHEMBL17174175

c1ccc(P(c2ccccc2)c2cc3ccc(-c4cccc(-c5ccc6ccc7cccnc7c6n5)c4)nc3c3ncccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.40
▸ CCR1 P32246 5/20 0.40
▸ CCR8 P51685 5/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CCR5 P51681 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GMNN O75496 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ MMP8 P22894 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
SCHEMBL17178122 0.96 TOP1 (0.37) BRD4CCR1CCR8L3MBTL1MAPT
SCHEMBL17174173 0.90 CCR1 (0.49) CCR1CCR8L3MBTL1MAPTALDH1A1
SCHEMBL17174203 0.85 BRD4 (0.43) BRD4CCR1CCR8MAPTCCR5
SCHEMBL15591716 0.84 CCR1 (0.53) CCR1CCR8L3MBTL1MAPTALDH1A1
SCHEMBL17174205 0.81 CCR1 (0.46) BRD4CCR1CCR8L3MBTL1MAPT
SCHEMBL17174042 0.80 CCR1 (0.52) BRD4CCR1CCR8L3MBTL1MAPT
SCHEMBL16852209 0.80 CCR1 (0.52) BRD4CCR1CCR8MAPTCCR5
SCHEMBL599744 0.80 CCR1 (0.59) BRD4CCR1CCR8L3MBTL1MAPT
SCHEMBL17146611 0.80 CCR1 (0.59) BRD4CCR1CCR8L3MBTL1MAPT
SCHEMBL29517679 0.80 CCR1 (0.59) BRD4CCR1CCR8L3MBTL1MAPT

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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