SCHEMBL3946534

SCHEMBL3946534

CC(C)(C)[S+]([O-])NCCC(O)c1ccc(F)cn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APLNR P35414 5/20 0.37
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GRIN2B Q13224 4/20 0.31
GRIN1 Q05586 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
SIGMAR1 Q99720 2/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
DRD2 P14416 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
NR1I2 O75469 1/20 0.30

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
SCHEMBL24303626 0.79 APLNR (0.41) APLNRMEN1KMT2AGRIN2BGRIN1
SCHEMBL24303629 0.79 APLNR (0.43) APLNRMEN1KMT2AGRIN2BGRIN1
SCHEMBL20449465 0.78 MEN1 (0.34) MEN1KMT2AGRIN2BGRIN1SIGMAR1
SCHEMBL3946528 0.75 APLNR (0.34) APLNRHDAC6
SCHEMBL3238372 0.75 DAO (0.36)
SCHEMBL18224526 0.74 APLNR (0.46) APLNRGRIN2BGRIN1SIGMAR1KDM4E
SCHEMBL4184545 0.73 APLNR (0.38) APLNRNR1I2
SCHEMBL3238364 0.73 HDAC6 (0.41) APLNRHDAC6NR1I2
SCHEMBL346024 0.73 HDAC6 (0.41) APLNRHDAC6NR1I2
SCHEMBL3941882 0.72 CNR1 (0.34) APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009095712-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-08-06 WO disclosed
WO-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed