SCHEMBL17174172

SCHEMBL17174172

O=P(O)(O)c1cc2ccc(-c3cccc(-c4ccc5ccc6cccnc6c5n4)c3)nc2c2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 5/20 0.40
▸ CCR8 P51685 5/20 0.40
▸ L3MBTL1 Q9Y468 4/20 0.40
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CCR5 P51681 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ GMNN O75496 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ MMP8 P22894 1/20 0.38

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
SCHEMBL17174171 0.90 CCR1 (0.49) CCR1CCR8L3MBTL1MAPTALDH1A1
SCHEMBL17174176 0.85 CCR1 (0.40) CCR1CCR8L3MBTL1MAPTALDH1A1
SCHEMBL17174178 0.85 TOP1 (0.45) CCR1CCR8L3MBTL1MAPTALDH1A1
SCHEMBL28947380 0.84 L3MBTL1 (0.53) CCR1CCR8L3MBTL1MAPTALDH1A1
SCHEMBL17146647 0.83 SRC (0.39) CCR1CCR8L3MBTL1MAPTALDH1A1
SCHEMBL17174198 0.83 MMP2 (0.42) CCR1CCR8MAPTCCR5KDM4E
SCHEMBL17174163 0.81 MMP2 (0.45) CCR1CCR8L3MBTL1MAPTALDH1A1
SCHEMBL17174191 0.80 CCR1 (0.59) CCR1CCR8L3MBTL1MAPTCCR5
SCHEMBL599744 0.80 CCR1 (0.59) CCR1CCR8L3MBTL1MAPTCCR5
SCHEMBL17146611 0.80 CCR1 (0.59) CCR1CCR8L3MBTL1MAPTCCR5

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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