SCHEMBL13812752

SCHEMBL13812752

COc1ccc(Cl)cc1C(=O)NCc1cccc(-c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.60
HPGD P15428 3/20 0.57
TP53 P04637 1/20 0.57
GLA P06280 1/20 0.57
APEX1 P27695 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
PPARG P37231 1/20 0.55
PPARA Q07869 1/20 0.55
CHRM3 P20309 1/20 0.55
MAPT P10636 1/20 0.55
THRB P10828 1/20 0.55
BRD4 O60885 1/20 0.54
ROCK2 O75116 1/20 0.54
ROCK1 Q13464 1/20 0.54
DNMT3A Q9Y6K1 1/20 0.54

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
SCHEMBL13812814 0.83 TUBB (0.63) LMNAHPGDMAPT
SCHEMBL23657593 0.82 LMNA (0.72) LMNAHPGDPPARADNMT3A
SCHEMBL13812735 0.82 HPGD (0.65) LMNAHPGDTP53GLAAPEX1
SCHEMBL28498838 0.82 HPGD (0.72) LMNAHPGDTP53GLAAPEX1
SCHEMBL29809770 0.82 HPGD (0.72) LMNAHPGDTP53GLAAPEX1
SCHEMBL3655099 0.81 DNMT3A (0.77) DNMT3A
SCHEMBL31023473 0.81 HPGD (0.60) LMNAHPGDTP53GLASMN1; SMN2
SCHEMBL11706059 0.81 DNMT3A (0.72) LMNAHPGDPPARGPPARADNMT3A
SCHEMBL31023570 0.81 ROCK2 (0.54) LMNAHPGDTP53GLAAPEX1
SCHEMBL3784241 0.81 DNMT3A (0.80) LMNADNMT3A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 US disclosed
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 US disclosed