SCHEMBL2581536

SCHEMBL2581536

COc1nc2c(Cl)ccc([O])c2c(C)c1Cc1ccc(-n2cccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.47
ADRA2B P18089 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
NR1H3 Q13133 1/20 0.41
NR1I3 Q14994 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL2574953 0.89 PTGDR2 (0.44) RORC
SCHEMBL2585815 0.89 PTGDR2 (0.46) RORC
SCHEMBL2575125 0.84 PTGDR2 (0.52) RORCADRA2BPPARGPPARDNR1H3
SCHEMBL2568427 0.83 RORC (0.48) RORCADRA2BPPARGPPARDNR1H3
SCHEMBL2577124 0.79 PTGDR2 (0.54) RORC
SCHEMBL2573811 0.75 PTGDR2 (0.52) RORCADRA2BPPARGPPARDNR1H3
SCHEMBL2582465 0.75 PTGDR2 (0.48) RORC
SCHEMBL2577052 0.74 PTGDR2 (0.61) RORCADRA2BPPARGPPARDNR1H3
SCHEMBL2579240 0.74 PTGDR2 (0.34)
SCHEMBL2574222 0.74 RORC (0.40) RORC

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-2139881-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2011-11-09 EP claimed