SCHEMBL20116770

SCHEMBL20116770

Cc1ccc(-n2c3ccccc3c3cc(C#N)ccc32)cc1-c1cc(-n2c3ccccc3c3cc(C(C)C)ccc32)ccc1O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP14 P54578 4/20 0.35
LMNA P02545 1/20 0.34
RORC P51449 6/20 0.34
TRPA1 O75762 1/20 0.33
PTGS1 P23219 1/20 0.33
CACNA1C Q13936 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
AR P10275 1/20 0.32
PPARG P37231 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL19380368 0.92 USP14 (0.36) USP14RORCARSLC22A12
SCHEMBL20116769 0.85 RORC (0.36) USP14RORCARPPARGSLC22A12
SCHEMBL20116772 0.80 RORC (0.39) RORC
SCHEMBL20115889 0.80 FNTA (0.36) USP14RORCARPPARG
SCHEMBL18707066 0.79 G6PD (0.38) USP14RORCKDM4EALDH1A1AR
SCHEMBL17115472 0.79 USP14 (0.36) USP14LMNARORCKDM4EALDH1A1
SCHEMBL20116771 0.78 RORC (0.32) RORCALDH1A1
SCHEMBL20115895 0.78 KDM1A (0.44) USP14RORCKDM4EALDH1A1
SCHEMBL17115336 0.77 USP14 (0.35) USP14LMNARORCKDM4EALDH1A1
SCHEMBL18713377 0.77 USP14 (0.35) USP14LMNARORCKDM4EALDH1A1

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