SCHEMBL17174193

SCHEMBL17174193

O=C(O)c1cc(-c2ccc3ccc4cccnc4c3n2)cc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8cccnc8c7n6)c5)nc4c3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 6/20 0.49
▸ PDE4C Q08493 4/20 0.49
▸ PDE4D Q08499 4/20 0.49
▸ PARP1 P09874 1/20 0.46
▸ PDE4B Q07343 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ KMO O15229 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ GMNN O75496 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.44

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
SCHEMBL17174063 0.97 ALDH1A1 (0.48) PDE4APDE4CPDE4DPARP1PDE4B
SCHEMBL17146628 0.97 ALDH1A1 (0.48) PDE4APDE4CPDE4DPARP1PDE4B
SCHEMBL17178142 0.87 KMO (0.56) PARP1ALDH1A1KMOKDM4ESMN1; SMN2
SCHEMBL29517679 0.87 CCR1 (0.59) PARP1KDM4ELMNAGMNNTP53
SCHEMBL17174194 0.87 CCR1 (0.59) PARP1KDM4ELMNAGMNNTP53
SCHEMBL17174191 0.87 CCR1 (0.59) PARP1KDM4ELMNAGMNNTP53
SCHEMBL17146611 0.87 CCR1 (0.59) PARP1KDM4ELMNAGMNNTP53
SCHEMBL599744 0.87 CCR1 (0.59) PARP1KDM4ELMNAGMNNTP53
SCHEMBL17174040 0.85 CCR1 (0.57) PARP1KDM4ELMNAGMNNTP53
SCHEMBL10032465 0.85 CCR1 (0.57) PARP1KDM4ELMNAGMNNTP53

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 4 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
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