SCHEMBL14646301

SCHEMBL14646301

Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3cc(-c5ccc(C=O)s5)ccc3-4)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.51
PRF1 P14222 2/20 0.44
PGR P06401 1/20 0.44
MAPT P10636 2/20 0.38
HSD17B1 P14061 4/20 0.36
HSD17B2 P37059 4/20 0.36
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTPRC P08575 1/20 0.33
ALKBH3 Q96Q83 2/20 0.32
ELANE P08246 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31

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
SCHEMBL30862485 0.83 APP (0.70) APPPRF1PGRMAPTHSD17B1
SCHEMBL29036191 0.83 APP (0.70) APPPRF1PGRMAPTHSD17B1
SCHEMBL3367944 0.81 APP (0.76) APPPRF1PGRMAPTHSD17B1
SCHEMBL14645505 0.81 MAPT (0.61) APPMAPTHSD17B1HSD17B2
SCHEMBL14646304 0.81 MAPT (0.61) APPMAPTHSD17B1HSD17B2
SCHEMBL14646038 0.77 APP (0.39) APPPRF1PGRMAPTCYP3A4
SCHEMBL3630228 0.76 APP (0.81) APPPRF1PGRMAPTHSD17B1
SCHEMBL14645927 0.75 PTPN22 (0.59) MAPT
SCHEMBL14645926 0.75 PTPN22 (0.59) MAPT
SCHEMBL14646053 0.74 APP (0.49) APPPRF1PGRMAPTHSD17B1

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