SCHEMBL17178139

SCHEMBL17178139

O=S(=O)(O)c1cc(S(=O)(=O)O)c(-c2ccc3ccc4cccnc4c3n2)cc1-c1ccc2ccc3cccnc3c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.51
▸ MAPT P10636 4/20 0.51
▸ HTT P42858 3/20 0.51
▸ TDP1 Q9NUW8 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HIF1A Q16665 3/20 0.47
▸ ALOX15 P16050 3/20 0.47
▸ CCR1 P32246 2/20 0.47
▸ CCR5 P51681 2/20 0.47
▸ CCR8 P51685 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ GMNN O75496 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47

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
SCHEMBL17174069 0.86 KDM4E (0.47) KDM4EMAPTHTTTDP1ALDH1A1
SCHEMBL17146601 0.81 KDM4E (0.52) KDM4EMAPTHTTTDP1ALDH1A1
SCHEMBL17899339 0.81 CCR1 (0.67) KDM4EMAPTHTTTDP1ALDH1A1
SCHEMBL17174066 0.78 KDM4E (0.57) KDM4EMAPTHTTTDP1ALDH1A1
SCHEMBL17146607 0.78 KDM4E (0.57) KDM4EMAPTHTTTDP1ALDH1A1
SCHEMBL17146643 0.78 KDM4E (0.57) KDM4EMAPTHTTTDP1ALDH1A1
SCHEMBL23246436 0.78 KDM4E (0.52) KDM4EMAPTHTTTDP1ALDH1A1
SCHEMBL2459763 0.77 MAPK1 (0.68) KDM4EMAPTHTTTDP1ALDH1A1
SCHEMBL30553888 0.77 MAPK1 (0.68) KDM4EMAPTHTTTDP1ALDH1A1
Phenanthroline SCHEMBL1893812 0.77 KDM4E (0.73) KDM4EMAPTHTTTDP1ALDH1A1

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