SCHEMBL6993174

SCHEMBL6993174

COC(=O)Oc1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CCC2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.56
ALOX5 P09917 13/20 0.53
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGS1 P23219 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
THRB P10828 2/20 0.41
ALOX5AP P20292 1/20 0.40
PTGS2 P35354 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL7000442 1.00 PTGES (0.56) PTGESALOX5MEN1KMT2APTGS1
SCHEMBL7005247 0.89 ALOX5 (0.46) PTGESALOX5MEN1KMT2APTGS1
SCHEMBL6999924 0.88 PTGES (0.53) PTGESALOX5MEN1KMT2APTGS1
SCHEMBL7003600 0.88 PTGES (0.56) PTGESALOX5PTGS1THRBALOX5AP
SCHEMBL7003381 0.88 PTGES (0.56) PTGESALOX5PTGS1THRBALOX5AP
SCHEMBL7003945 0.86 PTGS2 (0.44) PTGESALOX5MEN1KMT2APTGS1
SCHEMBL7003650 0.86 PTGS2 (0.44) PTGESALOX5MEN1KMT2APTGS1
SCHEMBL7003832 0.85 PTGES (0.55) PTGESALOX5PTGS1LMNASMN1; SMN2
SCHEMBL6486937 0.81 PTGES (0.58) PTGESALOX5MEN1KMT2APTGS1
SCHEMBL6484148 0.81 PTGES (0.58) PTGESALOX5MEN1KMT2APTGS1

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-1246825-B1 FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF MERCKLE GMBH (DE) 2003-12-17 EP disclosed