SCHEMBL17174200

SCHEMBL17174200

O=P(O)(O)c1cc(-c2ccc3ccc4cccnc4c3n2)cc(-c2ccc3ccc4ccc(-c5cc(-c6ccc7ccc8cccnc8c7n6)cc(P(=O)(O)O)c5)nc4c3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 3/20 0.46
▸ CCR5 P51681 3/20 0.46
▸ CCR8 P51685 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ MMP2 P08253 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ GMNN O75496 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ MMP8 P22894 1/20 0.46

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
SCHEMBL17174067 1.00 CCR1 (0.46) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL17174198 0.96 MMP2 (0.42) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL11962211 0.84 CCR1 (0.64) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL17174206 0.83 CCR1 (0.43) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL17174210 0.83 CCR1 (0.43) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL17899337 0.83 CCR1 (0.61) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL17174093 0.82 FBP1 (0.36) TDP1ALDH1A1FBP1PARP1
SCHEMBL17174196 0.80 KDM4E (0.53) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL17146642 0.80 KDM4E (0.53) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL17174201 0.80 KDM4E (0.40) CCR1CCR5CCR8KDM4ELMNA

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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