SCHEMBL5140190

SCHEMBL5140190

CS(=O)(=O)Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.76
TACR3 P29371 7/20 0.62
TP53 P04637 2/20 0.53
PTGFR P43088 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
TACR2 P21452 1/20 0.47
PDE10A Q9Y233 1/20 0.47
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL5049830 0.94 LMNA (0.67) LMNATACR3TP53TACR2PDE10A
SCHEMBL5048810 0.86 LMNA (0.71) LMNATACR3TP53PTGFRALDH1A1
SCHEMBL5047970 0.85 LMNA (0.67) LMNATACR3TP53TACR2NPC1
SCHEMBL5042633 0.85 LMNA (0.56) LMNATACR3TP53ALDH1A1TACR2
SCHEMBL1582464 0.83 TACR3 (0.63) LMNATACR3TP53ALDH1A1KDM4E
SCHEMBL4667070 0.82 LMNA (0.74) LMNATACR3TP53PTGFRALDH1A1
SCHEMBL4668167 0.81 LMNA (0.74) LMNATACR3TP53PTGFRTACR2
SCHEMBL1581143 0.81 TACR3 (0.65) LMNATACR3PDE10A
SCHEMBL4667071 0.79 LMNA (0.71) LMNATACR3TP53PTGFRALDH1A1
SCHEMBL5045637 0.79 TACR3 (0.62) LMNATACR3TACR2PDE10A

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