SCHEMBL3351438

SCHEMBL3351438

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BCL6 P41182 1/20 0.37
PTGDR2 Q9Y5Y4 5/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 1/20 0.35
MAPK8 P45983 1/20 0.35
RORC P51449 1/20 0.34

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
SCHEMBL13423755 0.92 PTGDR2 (0.44) TSHRPTGDR2RORC
SCHEMBL3346044 0.89 TSHR (0.37) TSHRGAASMN1; SMN2HTTALDH1A1
SCHEMBL3344721 0.81 P2RX3 (0.42) GAAALDH1A1L3MBTL1PTGDR2KDM4E
SCHEMBL3345008 0.81 P2RX3 (0.43) TSHRGAAALDH1A1L3MBTL1KDM4E
SCHEMBL3351455 0.81 PTGDR2 (0.43) PTGDR2RORC
SCHEMBL3772935 0.81 TSHR (0.41) TSHRGAASMN1; SMN2HTTALDH1A1
SCHEMBL3345372 0.81 TDP1 (0.44) TSHRPTGDR2LMNARORC
SCHEMBL13423750 0.80 PTGDR2 (0.44) PTGDR2RORC
SCHEMBL3778548 0.80 TSHR (0.42) TSHRGAASMN1; SMN2HTTALDH1A1
SCHEMBL3780994 0.78 TSHR (0.42) TSHRGAASMN1; SMN2HTTALDH1A1

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