SCHEMBL20115889

SCHEMBL20115889

Cc1ccccc1-c1cc(-n2c3ccccc3c3cc(-n4c5ccc(C#N)cc5c5cc(C(C)(C)C)ccc54)ccc32)ccc1O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.36
FNTB P49356 3/20 0.36
PGGT1B P53609 3/20 0.36
RORC P51449 7/20 0.35
USP14 P54578 2/20 0.32
TDP2 O95551 1/20 0.32
PPARG P37231 1/20 0.32
PTGER4 P35408 1/20 0.32
KDM1A O60341 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
AR P10275 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
SCHEMBL20116769 0.94 RORC (0.36) RORCUSP14TDP2PPARGPTGER4
SCHEMBL19380368 0.87 USP14 (0.36) RORCUSP14TDP2PTGER4KDM1A
SCHEMBL26831723 0.80 RORC (0.40) RORCPTGER4
SCHEMBL17424694 0.80 RORC (0.40) RORCPTGER4
SCHEMBL17424670 0.80 RORC (0.40) RORCPTGER4
SCHEMBL17424684 0.80 RORC (0.40) RORCPTGER4
SCHEMBL20116770 0.80 USP14 (0.35) RORCUSP14PPARGAR
SCHEMBL23624455 0.79 KIF11 (0.45) RORCUSP14PPARGPTGER4
SCHEMBL24617044 0.79 KIF11 (0.45) RORCUSP14PPARGPTGER4
SCHEMBL17115476 0.79 CSNK1D (0.39) RORCUSP14PTGER4

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