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SCHEMBL14646281

SCHEMBL14646281

Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(s3)-c3sc(C=O)cc3C4=O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.41
▸ CYP2A6 P11509 1/20 0.35
▸ PTP4A3 O75365 1/20 0.35
▸ HSD17B1 P14061 4/20 0.33
▸ HSD17B2 P37059 4/20 0.33
▸ ESR1 P03372 3/20 0.31
▸ ESR2 Q92731 3/20 0.31
▸ ICAM1 P05362 1/20 0.30
▸ SELE P16581 1/20 0.30

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
SCHEMBL14646053 0.93 APP (0.49) APPCYP2A6HSD17B1HSD17B2
SCHEMBL14646279 0.80 MAPT (0.53) APP
SCHEMBL14645944 0.80 MAPT (0.53) APP
SCHEMBL14646293 0.77 NR5A1 (0.44) ESR1ESR2
SCHEMBL14646315 0.75 MAPT (0.59) APPHSD17B1HSD17B2
SCHEMBL30862485 0.74 APP (0.70) APPCYP2A6HSD17B1HSD17B2
SCHEMBL29036191 0.74 APP (0.70) APPCYP2A6HSD17B1HSD17B2
SCHEMBL14646301 0.73 APP (0.51) APPCYP2A6HSD17B1HSD17B2
SCHEMBL3367944 0.72 APP (0.76) APPCYP2A6HSD17B1HSD17B2
SCHEMBL14646299 0.71 — —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013008951-A1 ORGANIC DYE, DYE-SENSITIZED METAL OXIDE SEMICONDUCTOR ELECTRODE AND DYE-SENSITIZED SOLAR CELL NATIONAL INSTITUTE FOR MATERIALS SCIENCE (JP) 2013-01-17 — — WO disclosed