SCHEMBL2924971

SCHEMBL2924971

COc1ncnc2sc(NC(=O)ON3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)nc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.40
LMNA P02545 1/20 0.40
MCHR1 Q99705 1/20 0.39
FAAH O00519 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
GSK3B P49841 1/20 0.39
HCAR1 Q9BXC0 1/20 0.38
CSNK1D P48730 1/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
ADAM17 P78536 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LPAR2 Q9HBW0 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
SCHEMBL2932137 0.94 CCR3 (0.42) CCR3LMNAHCAR1ALDH1A1
SCHEMBL2930809 0.91 LMNA (0.40) LMNAACHEKDM4EALDH1A1
SCHEMBL3049811 0.89 MEN1 (0.42) LMNAFAAHACHECSNK1DALDH1A1
SCHEMBL2930508 0.89 GPR6 (0.34) HCAR1SMN1; SMN2LPAR2
SCHEMBL2929411 0.89 ADORA2A (0.41) ACHEKDM4EALDH1A1SMN1; SMN2
SCHEMBL1760873 0.88 FAAH (0.51) CCR3LMNAMCHR1FAAH
SCHEMBL2930504 0.87 FAAH (0.45) LMNAFAAHKDM4EALDH1A1
SCHEMBL2931169 0.87 OGA (0.38) LMNAFAAHACHELPAR2
SCHEMBL2930506 0.86 GPR6 (0.38) LMNAACHEALDH1A1
SCHEMBL2931482 0.85 MEN1 (0.39) HCAR1LPAR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP claimed