SCHEMBL3582155

SCHEMBL3582155

C[Si](C)(C)c1ccc(CN(CCc2ccc(F)cc2)C(=O)c2cc(Cl)ccc2N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
F7 P08709 1/20 0.42
MCHR1 Q99705 1/20 0.41
C5AR1 P21730 1/20 0.41
NLRP3 Q96P20 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
SLC2A1 P11166 1/20 0.39
CYP3A4 P08684 1/20 0.38
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
RCE1 Q9Y256 1/20 0.36
PTPN1 P18031 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL3573515 0.94 C5AR1 (0.46) MCHR1C5AR1CA12CA1CA2
SCHEMBL3576389 0.88 TP53 (0.39) C5AR1CA12CA1CA2CA9
SCHEMBL12520870 0.86 C5AR1 (0.47) F2F10F7MCHR1C5AR1
SCHEMBL3577818 0.85 LMNA (0.42) C5AR1SLC2A1CYP3A4LPAR1LPAR5
SCHEMBL12520961 0.82 MCHR1 (0.47) F2F10F7MCHR1C5AR1
SCHEMBL12520893 0.79 F2 (0.45) F2F10F7MCHR1C5AR1
SCHEMBL3574025 0.79 C5AR1 (0.46) C5AR1CA12CA1CA2CA9
SCHEMBL12520934 0.78 MCHR1 (0.40) F2F10F7MCHR1C5AR1
SCHEMBL12520947 0.77 C5AR1 (0.47) F2F10F7MCHR1C5AR1
SCHEMBL12520901 0.77 CA12 (0.43) F2F10F7MCHR1NLRP3

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