SCHEMBL3576589

SCHEMBL3576589

CNc1ncc(Cl)cc1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.40
C5AR1 P21730 1/20 0.40
LPAR1 Q92633 6/20 0.38
LPAR5 Q9H1C0 4/20 0.38
LPAR2 Q9HBW0 1/20 0.37
PPARD Q03181 3/20 0.36
PPARA Q07869 3/20 0.36
PPARG P37231 2/20 0.36
ALDH1A1 P00352 1/20 0.36
FABP2 P12104 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
PTGIR P43119 1/20 0.35
F10 P00742 2/20 0.35
SLC2A1 P11166 1/20 0.35

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
SCHEMBL3577424 0.94 NLRP3 (0.39) CHRNA7C5AR1LPAR1LPAR5PPARD
SCHEMBL3575233 0.87 SLC2A1 (0.42) LPAR1LPAR5PPARDPPARAPPARG
SCHEMBL3583406 0.87 CNR1 (0.41) LPAR1LPAR5MEN1KMT2ASLC2A1
SCHEMBL3577569 0.85 C5AR1 (0.42) CHRNA7C5AR1LPAR1LPAR5SMN1; SMN2
SCHEMBL3577662 0.85 LPAR1 (0.43) C5AR1LPAR1LPAR5LPAR2PPARD
SCHEMBL3569329 0.84 C5AR1 (0.41) CHRNA7C5AR1MEN1KMT2AF10
SCHEMBL3581889 0.83 C5AR1 (0.40) CHRNA7C5AR1MEN1KMT2AF10
SCHEMBL3583638 0.82 C5AR1 (0.41) CHRNA7C5AR1MEN1KMT2AMAPT
SCHEMBL3577563 0.80 NLRP3 (0.42) C5AR1LPAR1LPAR5LPAR2PPARD
SCHEMBL3576692 0.80 ESRRG (0.37) C5AR1F10

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 3 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
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