SCHEMBL6047637

SCHEMBL6047637

COc1ccc(-c2ccccc2C2=C(Cl)C(Cl)=CC[CH]2)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
EP300 Q09472 1/20 0.36
KAT8 Q9H7Z6 1/20 0.36
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.34
PRMT1 Q99873 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
PABPC1 P11940 1/20 0.33

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
SCHEMBL6047638 0.80 MAPT (0.34) MAPTKDM4EKMT2AALDH1A1LMNA
SCHEMBL6047628 0.75 ABL1 (0.47) MAPTKMT2ALMNA
SCHEMBL6047599 0.72 IDO1 (0.39) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL12019868 0.72 IDO1 (0.59) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL12019937 0.72 IDO1 (0.59) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL12019841 0.72 IDO1 (0.64) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL12019777 0.72 IDO1 (0.64) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL7753164 0.72 IDO1 (0.64) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL6047627 0.71 CYP2A6 (0.39) IDO1MAPTKDM4EHSD17B10KMT2A
SCHEMBL6047650 0.69 CYP24A1 (0.40) MAPTKDM4EHSD17B10KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006501194-A 2006-01-12 JP claimed
EP-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 EP claimed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 WO claimed