SCHEMBL17174174

SCHEMBL17174174

O=C(Oc1ccccc1)c1cc2ccc(-c3cccc(-c4ccc5cc(-c6ccccc6)c6cccnc6c5n4)c3)nc2c2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 8/20 0.40
▸ TOP1 P11387 1/20 0.40
▸ ACACA Q13085 2/20 0.39
▸ CCR6 P51684 1/20 0.38
▸ TP53 P04637 4/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL17178120 0.95 ALDH1A1 (0.54) ALDH1A1POLBMAPTTOP1CCR6
SCHEMBL17174170 0.94 ALDH1A1 (0.57) ALDH1A1POLBMAPTTOP1CCR6
SCHEMBL17178165 0.80 KDM4E (0.52) ALDH1A1PDE10AKDM4EL3MBTL1
SCHEMBL17174202 0.80 ALDH1A1 (0.56) ALDH1A1POLBMAPTTOP1TP53
SCHEMBL17174167 0.80 KDM4E (0.49) ALDH1A1PDE10AKDM4EL3MBTL1
SCHEMBL17174204 0.77 ALDH1A1 (0.55) ALDH1A1MAPTTOP1TP53MMP2
SCHEMBL31096932 0.75 TOP1 (0.48) ALDH1A1MAPTTOP1TP53MMP2
SCHEMBL17178182 0.74 TOP1 (0.44) ALDH1A1POLBMAPTTOP1NPSR1
SCHEMBL20253240 0.73 TOP1 (0.47) ALDH1A1TOP1ACACAL3MBTL1
SCHEMBL17174179 0.73 TOP1 (0.45) ALDH1A1MAPTTOP1TP53MMP2

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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