SCHEMBL7977863

SCHEMBL7977863

CCOC(=S)Nc1ccc2c(n1)NC(=O)CO2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
NR3C2 P08235 6/20 0.39
PARP1 P09874 1/20 0.37
MMP12 P39900 1/20 0.36
KCNH2 Q12809 3/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NR3C1 P04150 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7964489 0.87 CYP1A2 (0.43) SYKNR3C2PARP1MMP12KCNH2
SCHEMBL7977814 0.81 NR3C2 (0.41) SYKNR3C2MMP12ALDH1A1NR3C1
SCHEMBL21400918 0.80 NR3C2 (0.42) SYKNR3C2PARP1MMP12ALDH1A1
SCHEMBL7980639 0.79 SYK (0.44) SYKNR3C2MMP12KCNH2ALDH1A1
SCHEMBL19250511 0.79 NR3C2 (0.44) SYKNR3C2MMP12KCNH2ALDH1A1
SCHEMBL7977812 0.76 NR3C2 (0.41) SYKNR3C2MMP12LMNAALDH1A1
SCHEMBL7974822 0.72 SYK (0.45) SYKNR3C2ALDH1A1NR3C1MAPT
SCHEMBL7977865 0.71 NR3C2 (0.38) NR3C2PARP1MMP12KCNH2LMNA
SCHEMBL12235340 0.70 PARP1 (0.50) NR3C2PARP1MMP12KCNH2NR3C1
SCHEMBL5260878 0.69 KCNH2 (0.43) NR3C2KCNH2

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-2001030782-A2 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-05-03 WO disclosed