SCHEMBL17174169

SCHEMBL17174169

O=COc1cc2ccc(-c3cccc(-c4ccc5cc(C(=O)O)c6cccnc6c5n4)c3)nc2c2ncccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ AURKA O14965 1/20 0.40
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ DHODH Q02127 9/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM6B O15054 1/20 0.38
▸ KDM6A O15550 1/20 0.38
▸ TET3 O43151 1/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ KDM4B O94953 1/20 0.38
▸ KDM5C P41229 1/20 0.38
▸ KDM4D Q6B0I6 1/20 0.38
▸ TET2 Q6N021 1/20 0.38
▸ ALKBH5 Q6P6C2 1/20 0.38
▸ TET1 Q8NFU7 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
SCHEMBL17178165 0.88 KDM4E (0.52) PDE10AKDM4ELMNAHTTAURKA
SCHEMBL17174167 0.85 KDM4E (0.49) PDE10AKDM4ELMNAHTTAURKA
SCHEMBL17178120 0.77 ALDH1A1 (0.54) PDE10AKDM4ELMNAHTTL3MBTL1
SCHEMBL17174182 0.75 NPC1 (0.36) KDM4ELMNAL3MBTL1NPC1RAB9A
SCHEMBL17174183 0.75 NPC1 (0.36) KDM4EL3MBTL1NPC1
SCHEMBL17178182 0.74 TOP1 (0.44) L3MBTL1NPC1RAB9A
SCHEMBL17174170 0.74 ALDH1A1 (0.57) KDM4ELMNATET2TET1
SCHEMBL17178179 0.73 NPC1 (0.35) PDE10AKDM4ELMNAHTTL3MBTL1
SCHEMBL17146627 0.73 CCR1 (0.38) PDE10AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL17174174 0.73 ALDH1A1 (0.49) PDE10AKDM4EL3MBTL1

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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