SCHEMBL3569982

SCHEMBL3569982

CNc1ccc(Cl)cc1C(=O)N(CCc1cccc(OC(F)F)c1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.41
LPAR5 Q9H1C0 2/20 0.41
MEP1B Q16820 1/20 0.39
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
SLC2A1 P11166 3/20 0.37
C5AR1 P21730 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36
SERPINE1 P05121 1/20 0.35
PTGER2 P43116 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 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
SCHEMBL3581450 0.90 MEP1B (0.41) LPAR1LPAR5MEP1BMAPTTSHR
SCHEMBL3575609 0.86 LMNA (0.43) LPAR1LPAR5SLC2A1C5AR1SMN1; SMN2
SCHEMBL3584396 0.85 C5AR1 (0.44) LPAR1LPAR5C5AR1GAASMN1; SMN2
SCHEMBL3580741 0.84 C5AR1 (0.40) LPAR1LPAR5C5AR1GAASMN1; SMN2
SCHEMBL3586145 0.84 CNR1 (0.42) LPAR1LPAR5SLC2A1C5AR1LPAR2
SCHEMBL3581404 0.84 CNR1 (0.43) LPAR1LPAR5C5AR1SERPINE1PPARG
SCHEMBL3583813 0.84 CNR1 (0.41) LPAR1LPAR5C5AR1PPARGNR1H4
SCHEMBL3583634 0.83 SERPINE1 (0.39) MAPTC5AR1GAASMN1; SMN2SERPINE1
SCHEMBL3577812 0.83 LPAR1 (0.43) LPAR1LPAR5SLC2A1C5AR1LPAR2
SCHEMBL3576429 0.83 LPAR1 (0.43) LPAR1LPAR5TSHRSLC2A1C5AR1

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