SCHEMBL22907677

SCHEMBL22907677

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4cc(C#N)ccc43)cc2)c2ccc3oc4ccccc4c3c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.35
CSNK1D P48730 1/20 0.34
CSNK1G2 P78368 1/20 0.34
USP14 P54578 4/20 0.33
PTGER4 P35408 2/20 0.31
PGR P06401 1/20 0.30
RORA P35398 1/20 0.30
RORB Q92753 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
SCHEMBL22907624 0.92 RORC (0.38) RORCUSP14PTGER4
SCHEMBL22907568 0.92 RORC (0.38) RORCUSP14PTGER4
SCHEMBL22907550 0.91 PGR (0.34) RORCPGRRORARORB
SCHEMBL18713378 0.89 CSNK1D (0.38) RORCCSNK1DCSNK1G2USP14PTGER4
SCHEMBL17115337 0.89 CSNK1D (0.38) RORCCSNK1DCSNK1G2USP14PTGER4
SCHEMBL16231026 0.89 KDM4E (0.35) RORCPGRRORARORB
SCHEMBL22907549 0.89 PGR (0.36) RORCPGRRORARORB
SCHEMBL22907570 0.89 RORC (0.36) RORCUSP14PTGER4
SCHEMBL17115476 0.87 CSNK1D (0.39) RORCCSNK1DCSNK1G2USP14PTGER4
SCHEMBL22907626 0.86 TNKS (0.34) RORCUSP14PTGER4PGR

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