SCHEMBL5779462

SCHEMBL5779462

NCc1cccc(CN2C(=O)c3cccc(NC(=O)C4=CC(Cl)=CCC4=S)c3C2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 2/20 0.41
ACHE P22303 1/20 0.41
HDAC1 Q13547 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GRM5 P41594 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MMP13 P45452 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
SCHEMBL5781841 0.95 HDAC1 (0.43) MAPTKDM4EMAPK1ACHEHDAC1
SCHEMBL5781955 0.92 ACHE (0.41) MAPTKDM4EMAPK1ACHEHDAC1
SCHEMBL5781764 0.91 ACHE (0.41) MAPTKDM4EMAPK1ACHEHDAC1
SCHEMBL5779832 0.91 MAPT (0.43) MAPTKDM4EMAPK1ACHEHDAC1
SCHEMBL5781913 0.90 MAPT (0.39) MAPTKDM4EMAPK1ACHEHDAC1
SCHEMBL5785216 0.90 ACHE (0.40) MAPTKDM4EMAPK1ACHEHDAC1
SCHEMBL5780092 0.89 ACHE (0.39) MAPTKDM4EMAPK1ACHEHDAC1
SCHEMBL5780762 0.89 HDAC1 (0.43) MAPTKDM4EMAPK1ACHEHDAC1
SCHEMBL5784398 0.87 HDAC1 (0.38) MAPTKDM4EMAPK1ACHEHDAC1
SCHEMBL5779161 0.86 HDAC1 (0.41) MAPTKDM4EMAPK1ACHEHDAC1

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
EP-1408962-B1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-03-15 EP disclosed
EP-1408962-A1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF Bayer HealthCare AG (DE) 2004-04-21 EP disclosed
WO-2003007942-A1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2003-01-30 WO disclosed