SCHEMBL12970384

SCHEMBL12970384

Cc1nc(-c2ccc(O)c(C(=O)I)c2)sc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
KDM4E B2RXH2 4/20 0.60
NPC1 O15118 1/20 0.60
POLB P06746 1/20 0.60
GAA P10253 2/20 0.59
ALDH1A1 P00352 3/20 0.52
XDH P47989 4/20 0.48
TARBP2 Q15633 2/20 0.48
KMT2A Q03164 3/20 0.46
ABCC4 O15439 1/20 0.46
ABCB11 O95342 1/20 0.46
PGR P06401 1/20 0.46
CHRM1 P11229 1/20 0.46
PDE4A P27815 1/20 0.46
BLVRB P30043 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL8867920 0.88 RAB9A (0.61) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL2009745 0.79 RAB9A (0.59) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL438271 0.78 XDH (0.68) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL21156699 0.77 RAB9A (0.69) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL2011167 0.77 RAB9A (0.79) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL17629243 0.77 RAB9A (0.67) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL17629244 0.77 RAB9A (0.67) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL27795018 0.76 RAB9A (0.56) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL12970049 0.76 RAB9A (0.77) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL2069278 0.76 RAB9A (1.00) RAB9ASMN1; SMN2KDM4ENPC1POLB

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
WO-2012131590-A1 AN IMPROVED PROCESS FOR PREPARATION OF FEBUXOSTAT AND ITS POLYMORPHIC CRYSTALLINE FORM C THEREOF SANDOZ AG (CH) 2012-10-04 WO disclosed