SCHEMBL17146643

SCHEMBL17146643

Oc1cc(O)c(-c2ccc3ccc4cccnc4c3n2)cc1-c1ccc2ccc3cccnc3c2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.57
LMNA P02545 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
CCR1 P32246 3/20 0.57
CCR5 P51681 3/20 0.57
CCR8 P51685 3/20 0.57
MAPT P10636 3/20 0.57
HTT P42858 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
MMP2 P08253 2/20 0.57
TSHR P16473 2/20 0.57
NFKB1 P19838 2/20 0.57
GMNN O75496 1/20 0.57
TP53 P04637 1/20 0.57
HSP90AA1 P07900 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
MMP9 P14780 1/20 0.57
ALOX15 P16050 1/20 0.57
MMP8 P22894 1/20 0.57

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
SCHEMBL17899339 0.89 CCR1 (0.67) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL30835060 0.85 KDM4E (0.48) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL17174061 0.85 KDM4E (0.48) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL85419 0.84 TSHR (0.56) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL13818413 0.83 CCR1 (0.64) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL1006162 0.83 TSHR (0.55) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL29413987 0.82 CCR1 (0.76) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL17899316 0.82 CCR1 (0.76) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL22101154 0.82 CCR1 (0.76) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL30835109 0.82 HSP90AA1 (0.48) KDM4ELMNASMN1; SMN2CCR1CCR5

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 5 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
EP-2927283-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) 2015-10-07 EP disclosed