SCHEMBL17146601

SCHEMBL17146601

O=S(=O)(O)c1c(-c2ccc3ccc4cccnc4c3n2)cccc1-c1ccc2ccc3cccnc3c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.52
▸ HTT P42858 4/20 0.52
▸ MAPT P10636 4/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ALOX12 P18054 1/20 0.51
▸ TSHR P16473 3/20 0.48
▸ MMP2 P08253 2/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ GMNN O75496 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ MMP8 P22894 1/20 0.48

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
SCHEMBL17178139 0.81 KDM4E (0.51) KDM4EHTTMAPTTDP1ALDH1A1
SCHEMBL15497974 0.80 CCR1 (0.64) KDM4EHTTMAPTTDP1LMNA
SCHEMBL20154964 0.80 CCR1 (0.64) KDM4EHTTMAPTTDP1LMNA
SCHEMBL10299989 0.79 LMNA (0.57) KDM4EHTTMAPTTDP1ALDH1A1
SCHEMBL13311147 0.79 CCR1 (0.61) KDM4EHTTMAPTTDP1LMNA
Phenanthroline SCHEMBL1893812 0.78 KDM4E (0.73) KDM4EHTTMAPTTDP1ALDH1A1
Phenanthroline SCHEMBL7486962 0.78 KDM4E (0.73) KDM4EHTTMAPTTDP1ALDH1A1
Phenanthroline SCHEMBL31562164 0.78 KDM4E (0.73) KDM4EHTTMAPTTDP1ALDH1A1
SCHEMBL10697919 0.78 TDP1 (0.67) KDM4EHTTMAPTTDP1ALDH1A1
SCHEMBL17174062 0.77 ALDH1A1 (0.50) KDM4EHTTMAPTTDP1ALDH1A1

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
Send feedback