SCHEMBL5781990

SCHEMBL5781990

Nc1cc(Oc2cccc(CN3C(=O)c4cccc(NC(=O)C5=CC(Cl)=CCC5=S)c4C3=O)c2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRM5 P41594 11/20 0.38
RPS6KA2 Q15349 2/20 0.36
ACHE P22303 1/20 0.35
HDAC1 Q13547 1/20 0.35
FAAH O00519 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 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
SCHEMBL5779832 0.85 MAPT (0.43) KDM4EMAPTMAPK1MEN1ALDH1A1
SCHEMBL5778183 0.84 MAPT (0.37) KDM4EMAPTMAPK1MEN1ALDH1A1
SCHEMBL5779462 0.83 MAPT (0.41) KDM4EMAPTMAPK1MEN1ALDH1A1
SCHEMBL5781955 0.82 ACHE (0.41) KDM4EMAPTMAPK1MEN1ALDH1A1
SCHEMBL5781764 0.82 ACHE (0.41) KDM4EMAPTMAPK1MEN1ALDH1A1
SCHEMBL5781841 0.81 HDAC1 (0.43) KDM4EMAPTMAPK1MEN1ALDH1A1
SCHEMBL5782220 0.81 MAPT (0.38) KDM4EMAPTMAPK1MEN1ALDH1A1
SCHEMBL6403278 0.81 F10 (0.47) KDM4EMAPTMAPK1MEN1ALDH1A1
SCHEMBL5781913 0.81 MAPT (0.39) KDM4EMAPTMAPK1MEN1ALDH1A1
SCHEMBL5785216 0.80 ACHE (0.40) KDM4EMAPTMAPK1MEN1ALDH1A1

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-1408962-B1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-03-15 EP disclosed