SCHEMBL3346044

SCHEMBL3346044

COC(=O)COc1ccc(F)c2c1c(C)c(Cc1ccc(S(C)(=O)=O)cc1)c(=O)n2C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.36
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 2/20 0.35
MAPK8 P45983 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
JAK2 O60674 1/20 0.33
P2RX7 Q99572 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
P2RX3 P56373 1/20 0.33
PI4KB Q9UBF8 1/20 0.33

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
SCHEMBL13423750 0.92 PTGDR2 (0.44) PTGDR2
SCHEMBL3351438 0.89 TSHR (0.41) TSHRPTGDR2GAASMN1; SMN2ALDH1A1
SCHEMBL3344721 0.89 P2RX3 (0.42) PTGDR2GAAALDH1A1KDM4EHPGD
SCHEMBL3345117 0.81 PTGDR2 (0.50) PTGDR2KDM4EJAK2
SCHEMBL3348846 0.81 TSHR (0.36) TSHRPTGDR2GAASMN1; SMN2ALDH1A1
SCHEMBL13423755 0.80 PTGDR2 (0.44) TSHRPTGDR2
SCHEMBL3345051 0.80 P2RX3 (0.42) TSHRPTGDR2P2RX3
SCHEMBL534018 0.78 PTGDR2 (0.44) TSHRPTGDR2GAASMN1; SMN2ALDH1A1
SCHEMBL3778423 0.76 PTGDR2 (0.41) TSHRPTGDR2GAASMN1; SMN2RAB9A
SCHEMBL534205 0.74 PTGDR2 (0.38) TSHRPTGDR2GAASMN1; SMN2ALDH1A1

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
WO-2010040989-A1 QUINOLIN-2-ONE COMPOUNDS ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-04-15 WO disclosed