SCHEMBL17178136

SCHEMBL17178136

OP(O)Oc1ccc(-c2ccc3ccc4cccnc4c3n2)cc1-c1ccc2ccc3cccnc3c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.41
▸ CCR1 P32246 3/20 0.41
▸ CCR5 P51681 3/20 0.41
▸ CCR8 P51685 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HSP90AA1 P07900 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ GMNN O75496 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ MMP8 P22894 1/20 0.41

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
SCHEMBL17174060 0.80 CCR1 (0.41) KDM4ECCR1CCR5CCR8SMN1; SMN2
SCHEMBL17178137 0.78 LMNA (0.37) KDM4ECCR1CCR5CCR8SMN1; SMN2
SCHEMBL17174061 0.78 KDM4E (0.48) KDM4ECCR1CCR5CCR8SMN1; SMN2
SCHEMBL30835060 0.78 KDM4E (0.48) KDM4ECCR1CCR5CCR8SMN1; SMN2
SCHEMBL30835022 0.78 NPC1 (0.44) KDM4ECCR1CCR5CCR8SMN1; SMN2
SCHEMBL13311148 0.77 CCR1 (0.59) KDM4ECCR1CCR5CCR8SMN1; SMN2
SCHEMBL599016 0.76 CCR1 (0.57) KDM4ECCR1CCR5CCR8SMN1; SMN2
SCHEMBL17146640 0.75 LMNA (0.48) KDM4ECCR1CCR5CCR8SMN1; SMN2
SCHEMBL17174065 0.75 LMNA (0.50) KDM4ECCR1CCR5CCR8SMN1; SMN2
SCHEMBL599374 0.75 LMNA (0.67) KDM4ECCR1CCR5CCR8SMN1; SMN2

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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