SCHEMBL1325397

SCHEMBL1325397

CC(C)[Si](Oc1ccc2c(C(=O)Nc3cccc(C(F)(F)F)c3)noc2c1)(C(C)C)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.49
IKBKB O14920 1/20 0.48
MAPT P10636 6/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX12 P18054 1/20 0.46
CCR6 P51684 1/20 0.46
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHUK O15111 1/20 0.44

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 0.81 IKBKB (0.56) HIF1AIKBKBMAPTMEN1KMT2A
SCHEMBL1324006 0.80 PPIA (0.50) HIF1AIKBKBMAPT
SCHEMBL1324071 0.78 KDR (0.57) HIF1AIKBKB
SCHEMBL1324145 0.77 KDR (0.66) HIF1A
SCHEMBL1324898 0.77 KDR (0.70) IKBKBMAPTKDM4E
SCHEMBL1324036 0.76 KDR (0.57) IKBKBMAPTKDM4E
SCHEMBL4304519 0.74 LMNA (0.43) HIF1AMAPTKDM4ENPC1MEN1
SCHEMBL1324200 0.74 KDR (0.53) HIF1AMAPTKDM4E
SCHEMBL1324059 0.70 LMNA (0.39) MAPTKDM4EGAAALDH1A1MAPK1
SCHEMBL10235498 0.69 MAPT (0.60) MAPTKDM4ENPC1MEN1KMT2A

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