SCHEMBL6511562

SCHEMBL6511562

CC(=O)On1c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c2cnccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.44
AKR1B1 P15121 3/20 0.44
USP14 P54578 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LIPE Q05469 1/20 0.36
HTR6 P50406 2/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
MCL1 Q07820 2/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35

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
SCHEMBL6509282 0.80 PTGDR2 (0.69) PTGDR2AKR1B1USP14
SCHEMBL6509625 0.77 PTGDR2 (0.53) PTGDR2AKR1B1USP14KDM4EHTR6
SCHEMBL6511408 0.76 PTGDR2 (0.43) PTGDR2AKR1B1LMNA
SCHEMBL5250248 0.67 PTGDR2 (0.67) PTGDR2
SCHEMBL1385122 0.63 PTGDR2 (0.87) PTGDR2AKR1B1
SCHEMBL1385757 0.63 PTGDR2 (0.75) PTGDR2AKR1B1MCL1
SCHEMBL1386979 0.61 PTGDR2 (1.00) PTGDR2AKR1B1PTGS1
SCHEMBL1788367 0.60 PTGDR2 (1.00) PTGDR2AKR1B1
SCHEMBL25009990 0.60 POLB (0.57) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL3017306 0.60 PTGDR2 (0.70) PTGDR2AKR1B1MAPTMCL1

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
WO-2005121141-A1 PYRROLOPYRIDINE DERIVATIVES AND USE THEREOF FOR TREATING DISEASES MEDIATED BY PROSTAGLANDIN D2 (PGD2) OXAGEN LIMITED (GB) 2005-12-22 WO claimed
WO-2005121141-A1 PYRROLOPYRIDINE DERIVATIVES AND USE THEREOF FOR TREATING DISEASES MEDIATED BY PROSTAGLANDIN D2 (PGD2) OXAGEN LIMITED (GB) 2005-12-22 WO disclosed