SCHEMBL3639353

SCHEMBL3639353

Cc1ccc(S(=O)(=O)n2c(C3=CN(C(=O)OCC(C)C)CCC3)cc3c(Br)ccnc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.35
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MDM2 Q00987 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 2/20 0.30
GPR119 Q8TDV5 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2993785 0.87 PTGDR2 (0.35) PTGDR2KMT2ATSHRKDM4EGPR119
SCHEMBL2987768 0.73 PTGDR2 (0.32) PTGDR2
SCHEMBL16036262 0.73 KIT (0.46) GPR119
SCHEMBL16042208 0.71 CCNT1 (0.43) LMNAKMT2AMAPTTSHRKDM4E
SCHEMBL16040328 0.70 HTR6 (0.43) PTGDR2
SCHEMBL13981341 0.70 PTGDR2 (0.30) PTGDR2
SCHEMBL13548246 0.69 PTGDR2 (0.46) PTGDR2LMNAMAPTTSHRKDM4E
SCHEMBL30668847 0.69 PTGDR2 (0.46) PTGDR2LMNAMAPTTSHRKDM4E
SCHEMBL3603085 0.69 PTGDR2 (0.46) PTGDR2LMNAMAPTL3MBTL1GAA
SCHEMBL3412397 0.68 PTGDR2 (0.47) PTGDR2LMNATSHRKDM4EL3MBTL1

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-2162455-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS Glaxo Group Limited (GB) 2010-03-17 EP disclosed
WO-2008145688-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS GLAXO GROUP LIMITED (GB) 2008-12-04 WO disclosed