SCHEMBL27596188

SCHEMBL27596188

Cc1ccccc1C(=O)c1csc(NCCCOS(=O)(=O)c2cccs2)n1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
F2 P00734 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL14421685 0.85 NPY5R (0.55) NPY5RCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27614917 0.83 F2 (0.37) ALDH1A1KDM4EHSD17B10MAPK1F2
SCHEMBL5563864 0.78 KDM4E (0.38) ALDH1A1KDM4ENPSR1KMT2ANPC1
SCHEMBL27614970 0.78 TOP2A (0.43) ALDH1A1KDM4EHSD17B10MAPK1CYP1A2
Hydrochloric Acid SCHEMBL5569140 0.78 KDM4E (0.38) ALDH1A1KDM4ENPSR1KMT2ANPC1
SCHEMBL5563859 0.77 PIK3CG (0.47) ALDH1A1KDM4EMAPK1CYP3A4NPSR1
SCHEMBL5564379 0.77 NPY5R (0.44) NPY5R
SCHEMBL5567784 0.77 ALDH1A1 (0.46) ALDH1A1KDM4ENPSR1
SCHEMBL27614967 0.76 NPC1 (0.40) ALDH1A1KDM4EHSD17B10MAPK1CYP2C9
SCHEMBL5567835 0.76 GAA (0.47) ALDH1A1KDM4EHSD17B10MEN1HTT

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
CN-100363362-C Thiazole derivatives as NPY receptor antagonists HOFFMANN LA ROCHE (CH) 2008-01-23 CN disclosed
CN-1639158-A Thiazole derivatives as NPY receptor antagonists HOFFMANN LA ROCHE (CH) 2005-07-13 CN disclosed