SCHEMBL14724894

SCHEMBL14724894

Cc1ccccc1Oc1ncc(F)c(N)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DCK P27707 11/20 0.53
MAP4K4 O95819 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5AP P20292 3/20 0.40
FEN1 P39748 3/20 0.40

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
SCHEMBL13529716 0.85 DCK (0.53) DCKALDH1A1ALOX5APFEN1
SCHEMBL17011544 0.82 DCK (0.44) DCKMEN1KMT2AALOX5APFEN1
SCHEMBL13530242 0.82 DCK (0.53) DCKMAP4K4ALDH1A1MEN1KMT2A
SCHEMBL13529746 0.80 DCK (0.57) DCKALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL13764971 0.78 DCK (0.44) DCKMAP4K4MEN1KMT2AALOX5AP
SCHEMBL13530435 0.77 MPO (0.45) DCKALDH1A1
SCHEMBL13529938 0.74 LMNA (0.41) DCKALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL13529827 0.74 ADRA2A (0.40) DCKALOX5APFEN1
SCHEMBL28669539 0.73 ALOX5AP (0.51) MAP4K4SMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL16303088 0.72 DCK (0.38) DCKSMN1; SMN2ALDH1A1HPGDMEN1

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
EP-2562175-A1 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES Dow AgroSciences LLC (US) 2013-02-27 EP disclosed