SCHEMBL4436796

SCHEMBL4436796

CCSc1ccccc1CC=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.36
DDR1 Q08345 1/20 0.34
S100A4 P26447 2/20 0.34
MAP2K7 O14733 1/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 3/20 0.33
MAPK1 P28482 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
PPARG P37231 1/20 0.33
BLM P54132 1/20 0.33
NCOA2 Q15596 1/20 0.33

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
SCHEMBL14507031 0.81 GABRA1 (0.41) HPGDDDR1S100A4MAP2K7CDC25A
SCHEMBL14691235 0.81 POLB (0.55) HPGDS100A4L3MBTL1KMT2AALDH1A1
SCHEMBL4441004 0.80 CHRM2 (0.49) HPGDL3MBTL1KMT2AALDH1A1LMNA
SCHEMBL29686359 0.79 APOBEC3G (0.52) KMT2ANPSR1LMNAMAPTPOLB
SCHEMBL7674655 0.78 HPGD (0.39) HPGDDDR1S100A4MAP2K7CDC25A
SCHEMBL4599233 0.76 MAP2K7 (0.33) MAP2K7CDC25ACDC25BKMT2AAPOBEC3G
SCHEMBL9988198 0.75 APOBEC3G (0.37) HPGDDDR1S100A4MAP2K7CDC25A
SCHEMBL6446917 0.74 GABRA1 (0.42) L3MBTL1ALDH1A1NPSR1MAPT
SCHEMBL8733161 0.74 LMNA (0.36) HPGDL3MBTL1ALDH1A1MAPK1LMNA
SCHEMBL3027067 0.74 HPGD (0.36) HPGDDDR1S100A4MAP2K7CDC25A

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 4 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 disclosed
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 disclosed
EP-1928835-A1 ALKYL SULFOXIDE QUINOLINES AS NK-3 RECEPTOR LIGANDS Astra Zeneca AB (SE) 2008-06-11 EP disclosed
WO-2007035158-A1 ALKYL SULFOXIDE QUINOLINES AS NK-3 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-03-29 WO disclosed