SCHEMBL17178137

SCHEMBL17178137

O=[PH](O)Oc1cc(OP(O)O)c(-c2ccc3ccc4cccnc4c3n2)cc1-c1ccc2ccc3cccnc3c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.37
▸ MAPT P10636 5/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ CCR1 P32246 2/20 0.37
▸ CCR5 P51681 2/20 0.37
▸ CCR8 P51685 2/20 0.37
▸ HSP90AA1 P07900 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ GMNN O75496 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ MMP8 P22894 1/20 0.37

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
SCHEMBL17178136 0.78 KDM4E (0.41) LMNAMAPTKDM4ESMN1; SMN2CCR1
SCHEMBL17178166 0.77 NPC1 (0.33) MAPTCCR1CCR8ALDH1A1L3MBTL1
SCHEMBL17178138 0.75 KDM4E (0.46) LMNAMAPTKDM4ESMN1; SMN2CCR1
SCHEMBL17899339 0.75 CCR1 (0.67) LMNAMAPTKDM4ESMN1; SMN2CCR1
SCHEMBL17178140 0.74 LMNA (0.42) LMNAMAPTKDM4ESMN1; SMN2CCR1
SCHEMBL17146604 0.74 LMNA (0.42) LMNAMAPTKDM4ESMN1; SMN2CCR1
SCHEMBL17146627 0.74 CCR1 (0.38) LMNAMAPTKDM4ESMN1; SMN2CCR1
SCHEMBL17146609 0.71 LMNA (0.39) LMNAMAPTKDM4ESMN1; SMN2CCR1
SCHEMBL13818413 0.70 CCR1 (0.64) LMNAMAPTKDM4ESMN1; SMN2CCR1
SCHEMBL17146643 0.69 KDM4E (0.57) LMNAMAPTKDM4ESMN1; SMN2CCR1

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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