SCHEMBL5780264

SCHEMBL5780264

N#CCc1ccc(CN2C(=O)c3c(NC(=O)C4=CC(Cl)=CCC4=S)cccc3C2O)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 2/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL5783534 0.83 HDAC1 (0.40) LMNANPC1MAPTHTTKMT2A
SCHEMBL5784019 0.83
SCHEMBL5781800 0.82 HDAC1 (0.42) LMNANPC1MAPTHTTKMT2A
SCHEMBL5781421 0.79 F10 (0.42) LMNANPC1MAPTHTTHPGD
SCHEMBL5778893 0.79 ACHE (0.40) LMNANPC1MAPTHTTHPGD
SCHEMBL5780260 0.78 HPGD (0.41) LMNANPC1MAPTHTTHPGD
SCHEMBL5785216 0.78 ACHE (0.40) MAPTKMT2AMEN1
SCHEMBL6218160 0.78 CHRM3 (0.40)
SCHEMBL5780501 0.76 NR1I2 (0.31)
SCHEMBL5784062 0.75 F10 (0.47) LMNANPC1MAPTHTTKMT2A

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