SCHEMBL6181463

SCHEMBL6181463

CCc1ccc(C=CBr)nc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
HRH3 Q9Y5N1 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 2/20 0.36
F2R P25116 1/20 0.36
CYP2D6 P10635 1/20 0.36
TP53 P04637 2/20 0.34
CYP2A6 P11509 1/20 0.32
MAPT P10636 1/20 0.32
DHFR P00374 1/20 0.32

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
SCHEMBL19735046 0.84 KDM4E (0.58) KDM4EL3MBTL1HRH3SMN1; SMN2NPC1
SCHEMBL12431662 0.82 KDM4E (0.59) KDM4EL3MBTL1HRH3SMN1; SMN2NPC1
SCHEMBL951852 0.82 KDM4E (0.59) KDM4EL3MBTL1HRH3SMN1; SMN2NPC1
SCHEMBL951851 0.82 KDM4E (0.59) KDM4EL3MBTL1HRH3SMN1; SMN2NPC1
SCHEMBL31261054 0.82 KDM4E (0.59) KDM4EL3MBTL1HRH3SMN1; SMN2NPC1
SCHEMBL13621098 0.80 KDM4E (0.58) KDM4EL3MBTL1HRH3SMN1; SMN2NPC1
SCHEMBL662972 0.79 KDM4E (0.61) KDM4EL3MBTL1HRH3SMN1; SMN2NPC1
SCHEMBL15007 0.79 KDM4E (0.61) KDM4EL3MBTL1HRH3SMN1; SMN2NPC1
SCHEMBL9000467 0.78 KDM4E (0.56) KDM4EL3MBTL1HRH3SMN1; SMN2NPC1
SCHEMBL934192 0.78 KDM4E (0.59) KDM4EL3MBTL1HRH3SMN1; SMN2NPC1

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-1521753-A2 A PROCESS TO PREPARE PIOGLITAZONE VIA SEVERAL INTERMEDIATES. CADILA HEALTHCARE LTD. (IN) 2005-04-13 EP disclosed
WO-2004007490-A2 A PROCESS TO PREPARE PIOGLITAZONE VIA SEVERAL INTERMEDIATES. CADILA HEALTHCARE LIMITED (IN) 2004-01-22 WO disclosed