SCHEMBL17452013

SCHEMBL17452013

S=P(c1ccccc1)(c1ccc(-c2cnc3ccccc3c2)cc1)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 3/20 0.48
▸ PDGFRA P16234 3/20 0.48
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ BIRC5 O15392 1/20 0.45
▸ PIK3CD O00329 2/20 0.44
▸ PIK3CA P42336 2/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ TOP2A P11388 1/20 0.43
▸ TOP2B Q02880 1/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ MMP9 P14780 2/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MAP4K4 O95819 1/20 0.40
▸ CSNK1G2 P78368 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40

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
SCHEMBL17451993 0.86 PDGFRB (0.58) PDGFRBPDGFRACA12CA1CA2
SCHEMBL17451945 0.86 CA12 (0.47) PDGFRBPDGFRACA12CA1CA2
SCHEMBL17452000 0.80 PDGFRB (0.51) PDGFRBPDGFRACA12CA1CA2
SCHEMBL17452012 0.80 ESR1 (0.46) NPSR1TOP1
SCHEMBL17452009 0.78 NOTUM (0.41) NPSR1TOP1
SCHEMBL17451927 0.78 PDGFRB (0.58) PDGFRBPDGFRACA12CA1CA2
SCHEMBL24621829 0.75 PDGFRB (0.72) PDGFRBPDGFRACA12CA1CA2
SCHEMBL29375510 0.75 PDGFRB (0.72) PDGFRBPDGFRACA12CA1CA2
SCHEMBL26829682 0.75 PDGFRB (0.72) PDGFRBPDGFRACA12CA1CA2
SCHEMBL708999 0.73 PDGFRB (0.75) PDGFRBPDGFRACA12CA1CA2

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-20160020405-A1 ORGANIC LIGHT EMITTING ELEMENT AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-21 — — US disclosed
US-20160020405-A1 ORGANIC LIGHT EMITTING ELEMENT AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-21 — — US disclosed
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