SCHEMBL4728756

SCHEMBL4728756

CCn1c2ccccc2c2cc(NC(=O)COc3ccccc3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 1.00
KDM4E B2RXH2 7/20 1.00
HPGD P15428 3/20 1.00
TP53 P04637 5/20 0.84
SMN1; SMN2 Q16637 3/20 0.74
LMNA P02545 3/20 0.74
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
RORC P51449 2/20 0.70
ALDH1A1 P00352 2/20 0.67
RXFP1 Q9HBX9 1/20 0.67
NPY5R Q15761 2/20 0.66
GAA P10253 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66

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
SCHEMBL7973755 0.92 MAPT (0.85) MAPTKDM4EHPGDTP53SMN1; SMN2
SCHEMBL7722834 0.84 MAPT (0.81) MAPTKDM4EHPGDTP53SMN1; SMN2
SCHEMBL14199692 0.84 MAPT (0.82) MAPTKDM4EHPGDSMN1; SMN2LMNA
SCHEMBL14802073 0.82 RORC (1.00) MAPTKDM4EHPGDTP53SMN1; SMN2
SCHEMBL29900796 0.82 RORC (1.00) MAPTKDM4EHPGDTP53SMN1; SMN2
SCHEMBL4728393 0.82 KDM4E (0.83) MAPTKDM4EHPGDSMN1; SMN2LMNA
SCHEMBL4728842 0.82 NPY5R (0.83) MAPTKDM4EHPGDTP53SMN1; SMN2
SCHEMBL4728399 0.82 KDM4E (0.83) MAPTKDM4EHPGDSMN1; SMN2LMNA
SCHEMBL4729061 0.82 RORC (0.70) MAPTKDM4EHPGDTP53SMN1; SMN2
SCHEMBL4863449 0.82 MAPT (0.79) MAPTKDM4EHPGDSMN1; SMN2LMNA

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
WO-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed
EP-1395578-A1 CARBAZOLE DERIVATIVES AND THEIR USE FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF NPY RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 2004-03-10 EP disclosed
WO-2002096902-A1 CARBAZOLE DERIVATIVES AND THEIR USE FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF NPY RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2002-12-05 WO disclosed