SCHEMBL5139952

SCHEMBL5139952

CC[S+]([O-])c1c(-c2ccccc2)nc2ccccc2c1C(=O)NCCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
L3MBTL1 Q9Y468 4/20 0.52
TP53 P04637 1/20 0.48
CNR1 P21554 1/20 0.45
TACR3 P29371 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 1/20 0.44
PDE10A Q9Y233 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL5046700 0.90 LMNA (0.61) LMNAL3MBTL1TP53CNR1TACR3
SCHEMBL4449047 0.83 LMNA (0.69) LMNAL3MBTL1TP53TACR3PDE10A
SCHEMBL5045993 0.83 LMNA (0.66) LMNAL3MBTL1TP53CNR1TACR3
SCHEMBL5045806 0.83 LMNA (0.66) LMNAL3MBTL1TP53CNR1TACR3
SCHEMBL16553849 0.82 LMNA (0.67) LMNAL3MBTL1TP53CNR1TACR3
SCHEMBL3870523 0.81 LMNA (0.65) LMNAL3MBTL1TP53CNR1TACR3
Hydrochloric Acid SCHEMBL5499021 0.80 LMNA (0.64) LMNAL3MBTL1TP53CNR1TACR3
SCHEMBL4438433 0.80 LMNA (0.64) LMNAL3MBTL1TP53CNR1TACR3
SCHEMBL5049768 0.79 LMNA (0.63) LMNAL3MBTL1TP53CNR1TACR3
SCHEMBL4667123 0.79 LMNA (0.66) LMNAL3MBTL1TP53CNR1TACR3

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