SCHEMBL17174065

SCHEMBL17174065

Cc1ccc(-c2ccc3ccc4cccnc4c3n2)cc1-c1ccc2ccc3cccnc3c2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.50
▸ CCR1 P32246 4/20 0.48
▸ CCR8 P51685 4/20 0.48
▸ CCR5 P51681 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ GMNN O75496 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 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
SCHEMBL12112677 0.88 CCR1 (0.48) LMNACCR1CCR8CCR5KDM4E
SCHEMBL18896532 0.86 CCR1 (0.50) LMNACCR1CCR8CCR5KDM4E
SCHEMBL12112694 0.85 CCR1 (0.57) LMNACCR1CCR8CCR5KDM4E
SCHEMBL13311148 0.84 CCR1 (0.59) LMNACCR1CCR8CCR5KDM4E
SCHEMBL22062244 0.83 LMNA (0.45) LMNACCR1CCR8CCR5KDM4E
SCHEMBL599016 0.82 CCR1 (0.57) LMNACCR1CCR8CCR5KDM4E
SCHEMBL17146640 0.82 LMNA (0.48) LMNACCR1CCR8CCR5KDM4E
SCHEMBL17174061 0.82 KDM4E (0.48) LMNACCR1CCR8CCR5KDM4E
SCHEMBL30835060 0.82 KDM4E (0.48) LMNACCR1CCR8CCR5KDM4E
SCHEMBL599374 0.82 LMNA (0.67) LMNACCR1CCR8CCR5KDM4E

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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