SCHEMBL17178172

SCHEMBL17178172

O=[PH](O)OOc1cc(-c2ccc3ccc4cccnc4c3n2)cc(-c2ccc3ccc4ccc(-c5cc(OOP(O)O)cc(-c6ccc7ccc8cccnc8c7n6)c5)nc4c3n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.34
▸ CCR5 P51681 2/20 0.34
▸ CCR8 P51685 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ GMNN O75496 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ MMP8 P22894 1/20 0.34

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
SCHEMBL17178157 0.87 PARP1 (0.33) —
SCHEMBL17146620 0.87 MMP2 (0.39) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL17178158 0.81 PARP1 (0.37) —
SCHEMBL17178140 0.81 LMNA (0.42) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL17146604 0.81 LMNA (0.42) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL17178162 0.78 MAP4K4 (0.36) KDM4EMAPTHTTSMN1; SMN2CLK2
SCHEMBL17146609 0.78 LMNA (0.39) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL17146606 0.76 PARP1 (0.39) KDM4EMAPTSMN1; SMN2NFKB1ALDH1A1
SCHEMBL17178164 0.75 MAP4K4 (0.37) KDM4EMAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL17178180 0.74 CCR1 (0.36) 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
Send feedback