SCHEMBL18806844

SCHEMBL18806844

c1cnc2c(c1)cc(Nc1cc(Nc3cc4cccnc4c4ncccc34)cc(Nc3cc4cccnc4c4ncccc34)c1)c1cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 10/20 0.54
▸ CCR1 P32246 5/20 0.54
▸ CCR8 P51685 5/20 0.54
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 6/20 0.46
▸ CCR5 P51681 3/20 0.45
▸ HSP90AA1 P07900 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ GMNN O75496 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ THPO P40225 1/20 0.45

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
SCHEMBL13103340 0.90 KDM4E (0.55) L3MBTL1CCR1CCR8MAPTALDH1A1
SCHEMBL18806842 0.83 CCR1 (0.54) L3MBTL1CCR1CCR8MAPTALDH1A1
SCHEMBL14584275 0.81 CCR1 (0.61) L3MBTL1CCR1CCR8MAPTALDH1A1
SCHEMBL11907479 0.81 CCR1 (0.56) L3MBTL1CCR1CCR8MAPTALDH1A1
SCHEMBL17194817 0.80 KDM4E (0.51) L3MBTL1CCR1CCR8MAPTALDH1A1
SCHEMBL12914331 0.79 L3MBTL1 (0.68) L3MBTL1CCR1CCR8MAPTALDH1A1
SCHEMBL18788338 0.77 CCR1 (0.51) L3MBTL1CCR1CCR8MAPTALDH1A1
SCHEMBL30231815 0.74 ATM (0.54) L3MBTL1CCR1CCR8MAPTALDH1A1
SCHEMBL25931017 0.74 CYP3A4 (0.63) L3MBTL1CCR1CCR8MAPTALDH1A1
SCHEMBL13286792 0.74 ATM (0.54) L3MBTL1CCR1CCR8MAPTALDH1A1

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-20170125832-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, POLYMER ELECTROLYTE MEMBRANE WITH CATALYST LAYER, MEMBRANE ELECTRODE ASSEMBLY, AND POLYMER ELECTROLYTE FUEL CELL EACH USING THE SAME TORAY INDUSTRIES, INC. (JP) 2017-05-04 — — US disclosed
US-20170125832-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, POLYMER ELECTROLYTE MEMBRANE WITH CATALYST LAYER, MEMBRANE ELECTRODE ASSEMBLY, AND POLYMER ELECTROLYTE FUEL CELL EACH USING THE SAME TORAY INDUSTRIES, INC. (JP) 2017-05-04 — — US disclosed
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