SCHEMBL2435834

SCHEMBL2435834

O=C(Nc1cccc(C(F)(F)F)c1)N1COc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.48
MAOB P27338 2/20 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
NR4A2 P43354 2/20 0.45
FAAH O00519 3/20 0.45
RAF1 P04049 1/20 0.45
BRAF P15056 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
LRRK2 Q5S007 1/20 0.44
MAPT P10636 3/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43

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
SCHEMBL2437389 0.85 GRM4 (0.41) MAOBPDK1PDK2PDK3PDK4
SCHEMBL274088 0.85 GRIN2B (0.47) FAAHBRAFMAPTMEN1HTT
SCHEMBL2435262 0.83 TRPV1 (0.48) MAPTMEN1HTTRAB9AKMT2A
SCHEMBL14477461 0.82 LMNA (0.56) PPIAMAOBPDK1PDK2PDK3
SCHEMBL2434322 0.79 KDR (0.51) BRAF
SCHEMBL2708220 0.78 MAOB (0.53) MAOBPDK1PDK2PDK3PDK4
SCHEMBL2437406 0.78 KDR (0.63) BRAF
SCHEMBL2433250 0.77 KDR (0.60) BRAF
SCHEMBL2433093 0.77 KDR (0.64) RAF1BRAF
SCHEMBL2434342 0.76 KDR (0.60) BRAFMAPT

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-8026247-B2 Bicyclic amides as kinase inhibitors NOVARTIS AG (CH) 2011-09-27 US disclosed