SCHEMBL5780092

SCHEMBL5780092

CN(C)Cc1cccc(CN2C(=O)c3cccc(NC(=O)C4=CC(Cl)=CCC4=S)c3C2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPK1 P28482 2/20 0.37
GRM5 P41594 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
HDAC1 Q13547 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
RPS6KA2 Q15349 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5781764 0.91 ACHE (0.41) ACHEMAPTKDM4EMAPK1GRM5
SCHEMBL5781955 0.90 ACHE (0.41) ACHEMAPTKDM4EMAPK1GRM5
SCHEMBL5779462 0.89 MAPT (0.41) ACHEMAPTKDM4EMAPK1GRM5
SCHEMBL5785216 0.88 ACHE (0.40) ACHEMAPTKDM4EMAPK1GRM5
SCHEMBL5779832 0.87 MAPT (0.43) ACHEMAPTKDM4EMAPK1GRM5
SCHEMBL5781913 0.86 MAPT (0.39) ACHEMAPTKDM4EMAPK1GRM5
SCHEMBL5781841 0.85 HDAC1 (0.43) ACHEMAPTKDM4EMAPK1GRM5
SCHEMBL5782217 0.85 F10 (0.46) MAPTALDH1A1HDAC1
SCHEMBL5783534 0.84 HDAC1 (0.40) ACHEMAPTKDM4EMAPK1GRM5
SCHEMBL5780762 0.83 HDAC1 (0.43) ACHEMAPTKDM4EMAPK1GRM5

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