SCHEMBL3580426

SCHEMBL3580426

COC(=O)Nc1ccc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPH1 Q92598 1/20 0.42
LMNA P02545 3/20 0.41
HPGD P15428 1/20 0.41
CNR1 P21554 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SERPINE1 P05121 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
SLC2A1 P11166 1/20 0.38
MPO P05164 1/20 0.38
PPARG P37231 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
CETP P11597 1/20 0.38

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
SCHEMBL3578904 0.92 LMNA (0.44) HSPH1LMNAHPGDCNR1MEN1
SCHEMBL3575609 0.90 LMNA (0.43) HSPH1LMNAHPGDCNR1MEN1
SCHEMBL3571600 0.88 LMNA (0.42) HSPH1LMNAHPGDCNR1MEN1
SCHEMBL3571486 0.87 LMNA (0.41) HSPH1LMNAHPGDCNR1MEN1
SCHEMBL3586188 0.87 NR3C1 (0.43) LMNAHPGDCNR1
SCHEMBL3580626 0.86 LMNA (0.40) HSPH1LMNAHPGDCNR1MEN1
SCHEMBL3577185 0.86 LMNA (0.40) HSPH1LMNAHPGDCNR1MEN1
SCHEMBL12521079 0.86 LMNA (0.44) LMNAHPGDCNR1MEN1CYP1A2
SCHEMBL12521286 0.86 LMNA (0.51) LMNAHPGDCNR1MEN1CYP1A2
SCHEMBL3570289 0.85 LMNA (0.40) HSPH1LMNAHPGDCNR1MEN1

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-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed