SCHEMBL3574865

SCHEMBL3574865

CC(C)(C)c1ccc(CN(CCc2cccc(OC(F)F)c2)C(=O)c2c(N)ccc(Cl)c2Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.38
LPAR5 Q9H1C0 5/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
RCE1 Q9Y256 1/20 0.35
MEP1B Q16820 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
PTGER2 P43116 1/20 0.34
SLC2A1 P11166 1/20 0.33
DAO P14920 1/20 0.33

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
SCHEMBL3581034 0.87 LPAR1 (0.36) LPAR1LPAR5CA12CA1CA2
SCHEMBL3580861 0.86 MCL1 (0.38) PPARGPPARDPPARARCE1SLC2A1
SCHEMBL3574035 0.86 MEP1B (0.36) LPAR1LPAR5CA12CA1CA2
SCHEMBL3581545 0.80 CNR1 (0.40) LPAR1LPAR5PPARGPPARDPPARA
SCHEMBL1385936 0.80 LPAR1 (0.37) LPAR1LPAR5CA12CA1CA2
SCHEMBL3589427 0.79 MCL1 (0.38) PPARGPPARDPPARARCE1TP53
SCHEMBL3569982 0.77 LPAR1 (0.41) LPAR1LPAR5CA12CA1CA2
SCHEMBL3587845 0.77 LPAR1 (0.42) LPAR1LPAR5CA12CA1CA2
SCHEMBL3574614 0.77 HDAC8 (0.39) LPAR1LPAR5RCE1SLC2A1
SCHEMBL3581450 0.77 MEP1B (0.41) LPAR1LPAR5CA12CA1CA2

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