SCHEMBL3576389

SCHEMBL3576389

C[Si](C)(C)c1ccc(CN(CCc2ccc(Cl)c(Cl)c2)C(=O)c2cc(Cl)ccc2N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
C5AR1 P21730 1/20 0.39
CYP2C19 P33261 2/20 0.38
RECQL P46063 1/20 0.38
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
CDK8 P49336 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
LPAR1 Q92633 2/20 0.35
LPAR5 Q9H1C0 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RCE1 Q9Y256 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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 0.92 C5AR1 (0.46) TP53MAPTC5AR1RECQLOPRM1
SCHEMBL3582155 0.88 F2 (0.42) TP53MAPTC5AR1LPAR1LPAR5
SCHEMBL3577818 0.85 LMNA (0.42) MAPTC5AR1CYP2C19CDK8LPAR1
SCHEMBL12521115 0.82 LPAR1 (0.40) TP53MAPTC5AR1CYP2C19CDK8
SCHEMBL12520870 0.80 C5AR1 (0.47) TP53MAPTC5AR1OPRM1OPRD1
SCHEMBL12520941 0.80 CENPE (0.40) TP53MAPTC5AR1CYP2C19OPRM1
SCHEMBL12521114 0.77 TACR1 (0.36) TP53MAPTCYP2C19OPRM1OPRD1
SCHEMBL3574025 0.77 C5AR1 (0.46) TP53MAPTC5AR1CYP2C19RECQL
SCHEMBL12520886 0.76 KCNH2 (0.38) CDK8CLK4LPAR1LPAR5RCE1
SCHEMBL3584423 0.76 LPAR1 (0.43) TP53MAPTC5AR1RECQLLPAR1

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