SCHEMBL17174203

SCHEMBL17174203

c1ccc(P(c2ccccc2)c2cc(-c3ccc4ccc5cccnc5c4n3)cc(-c3ccc4ccc5ccc(-c6cccc(-c7ccc8ccc9cccnc9c8n7)c6)nc5c4n3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.43
▸ CCR1 P32246 2/20 0.42
▸ CCR5 P51681 2/20 0.42
▸ CCR8 P51685 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GMNN O75496 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ MTOR P42345 1/20 0.42

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
SCHEMBL17174205 0.96 CCR1 (0.46) BRD4CCR1CCR5CCR8KDM4E
SCHEMBL17178119 0.89 PARP1 (0.40) KDM4ELMNACYP3A4MAPTTDP1
SCHEMBL17178118 0.86 PARP1 (0.42) KDM4ELMNACYP3A4MAPTTDP1
SCHEMBL17174175 0.85 BRD4 (0.40) BRD4CCR1CCR5CCR8KDM4E
SCHEMBL16852209 0.84 CCR1 (0.52) BRD4CCR1CCR5CCR8KDM4E
SCHEMBL17174042 0.84 CCR1 (0.52) BRD4CCR1CCR5CCR8KDM4E
SCHEMBL17174191 0.84 CCR1 (0.59) BRD4CCR1CCR5CCR8KDM4E
SCHEMBL599744 0.84 CCR1 (0.59) BRD4CCR1CCR5CCR8KDM4E
SCHEMBL29517679 0.84 CCR1 (0.59) BRD4CCR1CCR5CCR8KDM4E
SCHEMBL17146611 0.84 CCR1 (0.59) BRD4CCR1CCR5CCR8KDM4E

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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