SCHEMBL15626452

SCHEMBL15626452

CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ncc(-c6ccc(-c7cccc(-c8ccccc8)c7)cc6)cn5)ccc43)cc21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 1/20 0.32
▸ RAC2 P15153 1/20 0.31
▸ RAC3 P60763 1/20 0.31
▸ CDC42 P60953 1/20 0.31
▸ RAC1 P63000 1/20 0.31
▸ CAMK2D Q13557 1/20 0.31
▸ PDK2 Q15119 1/20 0.30
▸ HDAC4 P56524 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
SCHEMBL15626447 0.98 TSPO (0.32) TSPORAC2RAC3CDC42RAC1
SCHEMBL16659268 0.97 TSPO (0.31) TSPO
SCHEMBL16659261 0.95 TSPO (0.31) TSPO
SCHEMBL15626487 0.91 KDM4E (0.37) TSPOPDK2HDAC4
SCHEMBL22173294 0.90 KDM4E (0.38) TSPORAC2RAC3CDC42RAC1
SCHEMBL15626482 0.89 KDM4E (0.38) TSPORAC2RAC3CDC42RAC1
SCHEMBL24568155 0.89 TSPO (0.38) TSPORAC2RAC3CDC42RAC1
SCHEMBL30860129 0.89 TSPO (0.38) TSPORAC2RAC3CDC42RAC1
SCHEMBL15480240 0.89 TSPO (0.38) TSPORAC2RAC3CDC42RAC1
SCHEMBL24490404 0.89 KDM4E (0.35) PDK2

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-20140084271-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-03-27 — — US disclosed
US-20140084271-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-03-27 — — US disclosed
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