SCHEMBL3584209

SCHEMBL3584209

CNc1ccc(Cl)cc1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR5 Q9H1C0 1/20 0.39
CYP3A4 P08684 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA9 Q16790 1/20 0.37
SLC2A1 P11166 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
SCHEMBL3584396 0.86 C5AR1 (0.44) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3579622 0.86 CETP (0.43) C5AR1HDAC1MEN1KMT2ASMN1; SMN2
SCHEMBL3580698 0.85 C5AR1 (0.44) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3581049 0.84 C5AR1 (0.43) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3576432 0.84 C5AR1 (0.43) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3576340 0.84 CNR1 (0.42) C5AR1ALDH1A1LPAR1LPAR5SLC2A1
SCHEMBL3571491 0.83 C5AR1 (0.42) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3577159 0.83 C5AR1 (0.42) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3577662 0.83 LPAR1 (0.43) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3584106 0.83 LPAR1 (0.59) C5AR1LPAR1LPAR5LPAR2

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