SCHEMBL534009

SCHEMBL534009

CCc1nc2c(Cl)ccc([O])c2c(OC(F)F)c1Cc1ccc(C#N)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.32
EPHX2 P34913 1/20 0.32
HTR2A P28223 1/20 0.31
KCNH2 Q12809 1/20 0.31
CRHR1 P34998 1/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL534010 0.89 PTGDR2 (0.32) PTGDR2EPHX2HTR2AKCNH2CRHR1
SCHEMBL534857 0.88 PTGDR2 (0.39) PTGDR2SMN1; SMN2
SCHEMBL533922 0.85 PTGDR2 (0.49) PTGDR2EPHX2TSHR
SCHEMBL533980 0.84 PTGDR2 (0.41) PTGDR2EPHX2LMNAMAPTKDM4E
SCHEMBL19614973 0.79 PTGDR2 (0.44) PTGDR2
SCHEMBL534920 0.77 PTGDR2 (0.49) PTGDR2SMN1; SMN2
SCHEMBL534858 0.77 PTGDR2 (0.39) PTGDR2
SCHEMBL534813 0.73 PTGDR2 (0.58) PTGDR2MAPTTSHRKDM4EL3MBTL1
SCHEMBL534686 0.72 PTGDR2 (0.49) PTGDR2LMNAMAPTTSHRSMN1; SMN2
SCHEMBL534580 0.70 MRGPRX4 (0.35) PTGDR2EPHX2HTR2AKCNH2LMNA

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-2129661-B1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-02-08 EP claimed