SCHEMBL1324006

SCHEMBL1324006

O=C(Nc1cccc(C(F)(F)F)c1)c1noc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.50
HIF1A Q16665 6/20 0.48
LRRK2 Q5S007 1/20 0.48
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 3/20 0.47
IKBKB O14920 1/20 0.47
RAF1 P04049 1/20 0.46
BRAF P15056 1/20 0.46
MAOB P27338 2/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP2 Q8WXD0 1/20 0.46
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46

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
SCHEMBL1324842 0.82 IKBKB (0.56) HIF1AMAPTRXFP1IKBKB
SCHEMBL9056546 0.81 MAOB (0.60) MAPTMAOB
SCHEMBL1325397 0.80 HIF1A (0.49) HIF1AMAPTIKBKB
SCHEMBL8148879 0.79 NR1H4 (0.71) LRRK2MAPTRXFP1MAOB
SCHEMBL6840816 0.79 NR1H4 (0.61) PPIALRRK2MAPTRXFP1RAF1
SCHEMBL1324071 0.79 KDR (0.57) HIF1AIKBKBBRAF
SCHEMBL1324898 0.78 KDR (0.70) MAPTIKBKBBRAF
SCHEMBL4306909 0.77 MAOB (0.52) MAOB
SCHEMBL1324145 0.77 KDR (0.66) HIF1ABRAF
SCHEMBL1324036 0.77 KDR (0.57) MAPTIKBKBBRAF

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058276-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2011-11-15 US disclosed