SCHEMBL5046700

SCHEMBL5046700

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
L3MBTL1 Q9Y468 4/20 0.53
TP53 P04637 1/20 0.47
CNR1 P21554 1/20 0.47
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TACR3 P29371 3/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL4449047 0.94 LMNA (0.69) LMNAL3MBTL1TP53NPC1RAB9A
SCHEMBL5139952 0.90 LMNA (0.61) LMNAL3MBTL1TP53CNR1TSHR
SCHEMBL5045993 0.87 LMNA (0.66) LMNAL3MBTL1TP53CNR1TSHR
SCHEMBL5045806 0.87 LMNA (0.66) LMNAL3MBTL1TP53CNR1TSHR
SCHEMBL16553849 0.84 LMNA (0.67) LMNAL3MBTL1TP53CNR1TSHR
SCHEMBL3870523 0.82 LMNA (0.65) LMNAL3MBTL1TP53CNR1TSHR
Hydrochloric Acid SCHEMBL5499021 0.81 LMNA (0.64) LMNAL3MBTL1TP53CNR1TSHR
SCHEMBL5045721 0.81 LMNA (0.51) LMNATP53TSHRTACR3HPGD
SCHEMBL5049768 0.81 LMNA (0.63) LMNAL3MBTL1TP53CNR1TSHR
SCHEMBL4667123 0.80 LMNA (0.66) LMNAL3MBTL1TP53CNR1TSHR

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