SCHEMBL20116772

SCHEMBL20116772

CCCCCCCCc1ccc2c(c1)c1ccccc1n2-c1ccc(O)c(-c2cc(-n3c4ccccc4c4cc(C#N)ccc43)ccc2C)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.39
RORA P35398 1/20 0.39
RORB Q92753 1/20 0.39
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KAT8 Q9H7Z6 2/20 0.33
PTGER4 P35408 1/20 0.33
SPHK2 Q9NRA0 1/20 0.33
CNR2 P34972 2/20 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
SCHEMBL19380368 0.87 USP14 (0.36) RORCPTGER4
SCHEMBL20116771 0.86 RORC (0.32) RORC
SCHEMBL20115893 0.83 RORA (0.41) RORCRORARORBKAT8CNR2
SCHEMBL17115468 0.81 RORC (0.42) RORCRORARORBTSHRHSD17B10
SCHEMBL17115459 0.81 RORC (0.42) RORCRORARORBTSHRHSD17B10
SCHEMBL20116769 0.81 RORC (0.36) RORCPTGER4
SCHEMBL20116770 0.80 USP14 (0.35) RORC
SCHEMBL17115483 0.79 CYP1A2 (0.42) RORCRORARORBTSHRHSD17B10
SCHEMBL17115487 0.79 CYP1A2 (0.42) RORCRORARORBTSHRHSD17B10
SCHEMBL17115382 0.78 TSHR (0.42) RORCRORARORBTSHRHSD17B10

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
EP-3119770-B1 NEW DIBENZOFURANS AND DIBENZOTHIOPHENES IDEMITSU KOSAN CO (JP) 2018-05-02 EP disclosed