SCHEMBL3577818

SCHEMBL3577818

C[Si](C)(C)c1ccc(CN(CCc2cccc(C(F)(F)F)c2)C(=O)c2cc(Cl)ccc2N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
HPGD P15428 1/20 0.42
C5AR1 P21730 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR1 P21554 1/20 0.39
SLC2A1 P11166 1/20 0.39
PDK1 Q15118 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
KCNH2 Q12809 1/20 0.37
CHIT1 Q13231 1/20 0.37
CHIA Q9BZP6 1/20 0.37

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
SCHEMBL3576810 0.90 LMNA (0.42) LMNAHPGDC5AR1KMT2AMEN1
SCHEMBL3573515 0.86 C5AR1 (0.46) C5AR1KMT2AMEN1LPAR1LPAR5
SCHEMBL3576111 0.86 LMNA (0.41) LMNAHPGDC5AR1KMT2AMEN1
SCHEMBL3582155 0.85 F2 (0.42) LMNAC5AR1KMT2AMEN1CYP3A4
SCHEMBL3576389 0.85 TP53 (0.39) C5AR1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL12520981 0.84 KMT2A (0.47) LMNAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL12521101 0.83 TACR1 (0.42) LMNAHPGDC5AR1KMT2AMEN1
SCHEMBL12520867 0.83 SLC2A1 (0.39) LMNAHPGDC5AR1KMT2AMEN1
SCHEMBL12520995 0.82 SLC2A1 (0.44) LMNAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL3584423 0.81 LPAR1 (0.43) LMNAC5AR1KMT2ASMN1; SMN2SLC2A1

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 4 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
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed