SCHEMBL4725926

SCHEMBL4725926

COC(=O)c1ccc(-c2nnn(CC(C)(C)C(=O)NCc3ccccc3Cl)n2)cc1.COc1ccc(-c2nnn(CC(C)(C)C(=O)NCc3ccccc3Cl)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
THRB P10828 2/20 0.48
TP53 P04637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL1343950 0.95 MEN1 (0.50) MAPTTHRBTP53ALDH1A1KDM4E
SCHEMBL1345713 0.95 MAPT (0.56) MAPTTHRBTP53POLBMEN1
SCHEMBL1344310 0.88 MAPT (0.48) MAPTTHRBTP53POLBMEN1
SCHEMBL1346850 0.87 MEN1 (0.52) MAPTTHRBPOLBMEN1KMT2A
SCHEMBL1344134 0.86 MAPT (0.49) MAPTTHRBTP53ALDH1A1POLB
SCHEMBL1346103 0.85 MAPT (0.49) MAPTTHRBTP53POLBHPGD
SCHEMBL1347619 0.85 MAPT (0.48) MAPTTHRBTP53ALDH1A1POLB
SCHEMBL1346948 0.84 MAPT (0.48) MAPTTHRBTP53ALDH1A1POLB
SCHEMBL1345469 0.84 MAPT (0.48) MAPTTHRBTP53POLBHPGD
SCHEMBL1345985 0.83 MAPT (0.47) MAPTTHRBTP53POLBHPGD

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
WO-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed