SCHEMBL12186978

SCHEMBL12186978

CCOC(=O)c1sc(-c2ccc(O)c(C)c2)nc1C

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 8/20 0.64
DBF4 Q9UBU7 8/20 0.64
TRPM8 Q7Z2W7 6/20 0.57
MAPT P10636 4/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 2/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HSP90AA1 P07900 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
DHODH Q02127 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL28295522 0.90 CDC7 (0.67) CDC7DBF4TRPM8MAPTKDM4E
SCHEMBL19523297 0.88 CDC7 (0.62) CDC7DBF4TRPM8MAPTKDM4E
SCHEMBL8867093 0.88 CDC7 (0.62) CDC7DBF4TRPM8MAPTKDM4E
SCHEMBL455876 0.88 CDC7 (0.62) CDC7DBF4TRPM8MAPTKDM4E
SCHEMBL15383553 0.86 ALDH1A1 (0.62) CDC7DBF4TRPM8MAPTKDM4E
SCHEMBL29627451 0.85 CDC7 (0.59) CDC7DBF4TRPM8MAPTKDM4E
SCHEMBL454793 0.85 CDC7 (0.59) CDC7DBF4TRPM8MAPTKDM4E
SCHEMBL30804867 0.84 CDC7 (0.58) CDC7DBF4TRPM8MAPTKDM4E
SCHEMBL469731 0.84 CDC7 (0.58) CDC7DBF4TRPM8MAPTKDM4E
SCHEMBL19523327 0.84 MAPT (0.58) CDC7DBF4TRPM8MAPTKDM4E

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-2011141933-A2 PROCESS FOR PREPARATION OF 2-[3-CYANO-4-(2-METHYLPROPOXY)PHENYL]-4-METHYLTHIAZOLE-5-CARBOXYLIC ACID AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS MSN LABORATORIES LIMITED (IN) 2011-11-17 WO disclosed