SCHEMBL5048810

SCHEMBL5048810

CS(=O)(=O)c1c(-c2ccccc2)nc2ccccc2c1C(=O)NCCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.71
TACR3 P29371 3/20 0.61
TP53 P04637 2/20 0.49
PTGFR P43088 1/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.48
RECQL P46063 1/20 0.48
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL5140190 0.86 LMNA (0.76) LMNATACR3TP53PTGFRALDH1A1
SCHEMBL5041963 0.85 TACR3 (0.55) LMNATACR3TP53PTGFRALDH1A1
SCHEMBL8245169 0.82 TACR3 (0.56) LMNATACR3TP53ALDH1A1KDM4E
SCHEMBL4667071 0.80 LMNA (0.71) LMNATACR3TP53PTGFRALDH1A1
SCHEMBL5049830 0.80 LMNA (0.67) LMNATACR3TP53L3MBTL1NPC1
SCHEMBL5047970 0.80 LMNA (0.67) LMNATACR3TP53L3MBTL1NPC1
SCHEMBL4449047 0.79 LMNA (0.69) LMNATACR3TP53PTGFRALDH1A1
SCHEMBL4963091 0.79 LMNA (0.60) LMNATACR3TP53L3MBTL1
SCHEMBL4667070 0.78 LMNA (0.74) LMNATACR3TP53PTGFRALDH1A1
SCHEMBL4668167 0.78 LMNA (0.74) LMNATACR3TP53PTGFRMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928835-A1 ALKYL SULFOXIDE QUINOLINES AS NK-3 RECEPTOR LIGANDS Astra Zeneca AB (SE) 2008-06-11 EP claimed
WO-2007035158-A1 ALKYL SULFOXIDE QUINOLINES AS NK-3 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-03-29 WO claimed