SCHEMBL379635

SCHEMBL379635

Nc1ccc(-c2c(-c3ccccc3CO)c(-c3ccccc3CO)c(N)c(-c3ccccc3CO)c2-c2ccccc2CO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
ACHE P22303 2/20 0.37
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRKCZ Q05513 1/20 0.36
PDK2 Q15119 2/20 0.35
DPP4 P27487 1/20 0.35
KIT P10721 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
HTR6 P50406 1/20 0.34
ADORA2A P29274 1/20 0.34
HTR2B P41595 1/20 0.34
GPR68 Q15743 1/20 0.34
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
ATR Q13535 1/20 0.33

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
SCHEMBL3786432 0.84 DPP4 (0.48) PDCD1CD274CYP3A4TDP1TAAR1
SCHEMBL30557130 0.79 HSD17B10 (0.52) ACHECYP3A4TDP1TAAR1HSD17B10
SCHEMBL27895887 0.79 HSD17B10 (0.52) ACHECYP3A4TDP1TAAR1HSD17B10
SCHEMBL3784518 0.77 PDCD1 (0.44) PDCD1CD274CYP3A4TDP1TAAR1
SCHEMBL8894883 0.75 PTPRC (0.46) PDCD1CD274CYP3A4TDP1TAAR1
SCHEMBL30423727 0.75 PRKCZ (0.47) ACHECYP3A4TDP1TAAR1HSD17B10
SCHEMBL5187272 0.75 PRKCZ (0.47) ACHECYP3A4TDP1TAAR1HSD17B10
SCHEMBL1726026 0.72 PDCD1 (0.45) PDCD1CD274HSD17B10DPP4ADORA2A
SCHEMBL3785710 0.72 CYP3A4 (0.37) PDCD1CD274ACHECYP3A4TDP1
SCHEMBL3936090 0.71 PRKCZ (0.44) ACHECYP3A4TDP1TAAR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408572-A1 COMPOSITE STRUCTURED ORGANIC FILMS Xerox Corporation (US) 2012-01-25 EP disclosed
EP-2403656-A1 ELECTRONIC DEVICES COMPRISING STRUCTURED ORGANIC FILMS Xerox Corporation (US) 2012-01-11 EP disclosed
WO-2010102038-A1 ELECTRONIC DEVICES COMPRISING STRUCTURED ORGANIC FILMS XEROX CORPORATION (US) 2010-09-10 WO disclosed
WO-2010102027-A1 COMPOSITE STRUCTURED ORGANIC FILMS XEROX CORPORATION (US) 2010-09-10 WO disclosed