SCHEMBL17930278

SCHEMBL17930278

c1ccc(N(c2ccc(-c3cccc(-c4cccc(N(c5ccccc5)c5ccc(-c6cccc(N(c7ccccc7)c7cccc8ccccc78)c6)cc5)c4)c3)cc2)c2ccc(-c3cccc(N(c4ccccc4)c4ccc5ccccc5c4)c3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
SIGMAR1 Q99720 5/20 0.36
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
PTGES O14684 2/20 0.33
ALOX5 P09917 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CDK4 P11802 1/20 0.32

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
SCHEMBL19187363 0.99 HSD17B1 (0.37) HSD17B1HSD17B2SIGMAR1ESR1ESR2
SCHEMBL21031311 0.99 HSD17B1 (0.37) HSD17B1HSD17B2SIGMAR1ESR1ESR2
SCHEMBL19565026 0.99 HSD17B1 (0.37) HSD17B1HSD17B2SIGMAR1ESR1ESR2
SCHEMBL19262023 0.99 HSD17B1 (0.37) HSD17B1HSD17B2SIGMAR1ESR1ESR2
SCHEMBL18466545 0.99 HSD17B1 (0.37) HSD17B1HSD17B2SIGMAR1ESR1ESR2
SCHEMBL20748318 0.97 HSD17B1 (0.40) HSD17B1HSD17B2SIGMAR1ESR1ESR2
SCHEMBL10136118 0.97 HSD17B1 (0.38) HSD17B1HSD17B2SIGMAR1ESR1ESR2
SCHEMBL10135983 0.97 HSD17B1 (0.38) HSD17B1HSD17B2SIGMAR1ESR1ESR2
SCHEMBL10135872 0.97 HSD17B1 (0.38) HSD17B1HSD17B2SIGMAR1ESR1ESR2
SCHEMBL17471802 0.97 HSD17B1 (0.38) HSD17B1HSD17B2SIGMAR1ESR1ESR2

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
US-20160211457-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 US disclosed
US-20160211459-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 US disclosed
US-20160211459-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 US disclosed
US-20160211457-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 US disclosed