SCHEMBL17174182

SCHEMBL17174182

O=P(O)(O)Oc1cc2ccc(-c3cccc(-c4ccc5cc(OP(=O)(O)O)c6cccnc6c5n4)c3)nc2c2ncccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.36
▸ SRC P12931 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ CCR1 P32246 2/20 0.34
▸ CCR8 P51685 2/20 0.34
▸ INPPL1 O15357 2/20 0.34
▸ INPP5B P32019 2/20 0.34
▸ INPP5A Q14642 2/20 0.34
▸ GPR84 Q9NQS5 1/20 0.34
▸ TOP1 P11387 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ DYRK1A Q13627 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ PTPN6 P29350 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL17146647 0.97 SRC (0.39) NPC1SRCALDH1A1LMNAL3MBTL1
SCHEMBL11907697 0.83 CCR1 (0.49) NPC1SRCALDH1A1LMNAL3MBTL1
SCHEMBL17146649 0.83 SCN5A (0.30) —
SCHEMBL17174183 0.81 NPC1 (0.36) NPC1ALDH1A1L3MBTL1CCR1CCR8
SCHEMBL17178179 0.79 NPC1 (0.35) NPC1ALDH1A1LMNAL3MBTL1CCR1
SCHEMBL17146627 0.79 CCR1 (0.38) NPC1ALDH1A1LMNAL3MBTL1CCR1
SCHEMBL17174172 0.79 CCR1 (0.40) NPC1ALDH1A1LMNAL3MBTL1CCR1
SCHEMBL17146652 0.78 KDM4E (0.39) NPC1ALDH1A1LMNAL3MBTL1CCR1
SCHEMBL17178182 0.78 TOP1 (0.44) NPC1ALDH1A1L3MBTL1CCR1CCR8
SCHEMBL17174165 0.77 KDM4E (0.44) NPC1ALDH1A1LMNAL3MBTL1CCR1

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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