SCHEMBL4449047

SCHEMBL4449047

C[S+]([O-])c1c(-c2ccccc2)nc2ccccc2c1C(=O)NCCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.69
TP53 P04637 2/20 0.48
PTGFR P43088 1/20 0.48
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TAAR1 Q96RJ0 2/20 0.45
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.45
TACR3 P29371 1/20 0.44
HPGD P15428 1/20 0.44
PDE10A Q9Y233 1/20 0.44

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 0.94 LMNA (0.61) LMNATP53L3MBTL1ALDH1A1RAB9A
SCHEMBL5045721 0.85 LMNA (0.51) LMNATP53PTGFRALDH1A1TACR3
SCHEMBL5139952 0.83 LMNA (0.61) LMNATP53L3MBTL1ALDH1A1RAB9A
SCHEMBL5042680 0.82 LMNA (0.47) LMNATP53MAPTALDH1A1TACR3
SCHEMBL5045993 0.80 LMNA (0.66) LMNATP53PTGFRL3MBTL1RAB9A
SCHEMBL5045806 0.80 LMNA (0.66) LMNATP53L3MBTL1ALDH1A1RAB9A
SCHEMBL3326488 0.80 PDE10A (0.62) LMNAKMT2APDE10A
SCHEMBL4667070 0.80 LMNA (0.74) LMNATP53PTGFRMAPTMEN1
SCHEMBL4667071 0.79 LMNA (0.71) LMNATP53PTGFRMAPTMEN1
SCHEMBL5048810 0.79 LMNA (0.71) LMNATP53PTGFRMAPTMEN1

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-2137155-A1 QUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THEIR USE IN TREATING CENTRAL NERVOUS SYSTEM AND PERIPHERAL DISEASES AstraZeneca AB (SE) 2009-12-30 EP claimed
WO-2008115140-A1 QUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THEIR USE IN TREATING CENTRAL NERVOUS SYSTEM AND PERIPHERAL DISEASES ASTRAZENECA AB (SE) 2008-09-25 WO claimed