SCHEMBL6979135

SCHEMBL6979135

Fc1nc(-c2ccccc2)c(F)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.50
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
ADORA2A P29274 6/20 0.42
ADORA1 P30542 4/20 0.42
GRM5 P41594 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR4A2 P43354 1/20 0.39
NUDT1 P36639 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL21693803 0.80 XDH (0.44) XDHALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL25180818 0.77 ADORA2A (0.47) XDHALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL28145391 0.77 ADORA2A (0.59) XDHADORA2AADORA1CSNK1A1CLK4
SCHEMBL7465542 0.77 XDH (0.42) XDHALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL7471487 0.77 XDH (0.42) XDHALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL23177134 0.74 DPP4 (0.50) XDHALDH1A1SMN1; SMN2ADORA2AADORA1
SCHEMBL445036 0.74 MEN1 (0.31) MAPTKMT2AMEN1HTT
SCHEMBL27999420 0.74 ADORA2A (0.55) XDHALDH1A1LMNAKDM4EADORA2A
SCHEMBL17942627 0.72 ADORA2A (0.48) XDHALDH1A1LMNAKDM4ESMN1; SMN2
Water SCHEMBL28157155 0.72 ADORA2A (0.53) XDHALDH1A1LMNAKDM4ESMN1; SMN2

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-0887343-B1 Herbicidal 3,5-difluoropyridines BASF AG (DE) 2003-06-11 EP claimed