SCHEMBL22907467

SCHEMBL22907467

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4cc(C#N)ccc43)cc2)c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.34
KDM1A O60341 1/20 0.33
PPARG P37231 4/20 0.33
PTGER4 P35408 2/20 0.32
SLC22A12 Q96S37 1/20 0.32
PPARA Q07869 2/20 0.31
USP14 P54578 2/20 0.31
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 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
SCHEMBL22907466 0.92 KDM4E (0.35) RORCKDM1APTGER4USP14PER2
SCHEMBL22907672 0.92 KDM4E (0.35) RORCKDM1APTGER4USP14PER2
SCHEMBL22907646 0.92 PPARG (0.37) RORCPPARGPPARA
SCHEMBL22907470 0.89 RORC (0.34) RORCKDM1APTGER4USP14PER2
SCHEMBL22907641 0.88 PPARG (0.34) RORCPPARGPPARA
SCHEMBL22907668 0.87 PTGER4 (0.35) RORCKDM1APTGER4
SCHEMBL22907512 0.87 RORC (0.35) RORCPPARGPTGER4SLC22A12PPARA
SCHEMBL17463229 0.86 L3MBTL1 (0.38) RORCPTGER4USP14PER2CRY1
SCHEMBL22907642 0.84 APP (0.33) RORCPPARGPPARA
SCHEMBL22907643 0.83 PTGES (0.35) RORCPPARGPPARA

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
US-20210020854-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-01-21 US disclosed