SCHEMBL5049044

SCHEMBL5049044

C[S+]([O-])Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCCCc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
TP53 P04637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TACR3 P29371 10/20 0.43
CYP2C9 P11712 2/20 0.43
NAMPT P43490 1/20 0.41
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40

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
SCHEMBL5045806 0.91 LMNA (0.66) LMNATP53L3MBTL1TACR3
SCHEMBL4667483 0.86 LMNA (0.55) LMNATP53L3MBTL1TACR3CYP2C9
SCHEMBL5045993 0.83 LMNA (0.66) LMNATP53L3MBTL1TACR3
SCHEMBL4667486 0.82 LMNA (0.52) LMNATP53L3MBTL1TACR3CYP2C9
SCHEMBL4667525 0.82 LMNA (0.50) LMNATP53L3MBTL1TACR3CYP2C9
SCHEMBL4667111 0.81 LMNA (0.49) LMNATP53L3MBTL1TACR3CYP2C9
SCHEMBL4667053 0.81 TACR3 (0.55) LMNATACR3
SCHEMBL4961957 0.81 TACR3 (0.51) LMNAL3MBTL1TACR3CYP2C9
SCHEMBL5046700 0.78 LMNA (0.61) LMNATP53L3MBTL1TACR3
SCHEMBL4962172 0.78 TACR3 (0.50) LMNAL3MBTL1TACR3

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