SCHEMBL7993937

SCHEMBL7993937

CC(C)(C)Cc1nc2cc(CNC(=O)OCC[Si](C)(C)C)ccc2o1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
ACLY P53396 1/20 0.40
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRK6 P43250 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
SCHEMBL7973939 0.89 GAA (0.41) GAAACLYRAB9ANPC1SMN1; SMN2
SCHEMBL7960612 0.80 NPC1 (0.38) GAAACLYRAB9ANPC1MAPT
SCHEMBL506996 0.80 KDM4E (0.50) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL8001315 0.77 KDM4E (0.43) GAAACLYRAB9ANPC1SMN1; SMN2
SCHEMBL7993936 0.76 ACLY (0.38) GAAACLYRAB9ANPC1POLB
SCHEMBL7973936 0.74 MAPT (0.37) GAAACLYRAB9ANPC1TSHR
SCHEMBL7972175 0.74 GAA (0.59) GAAACLYRAB9ANPC1SMN1; SMN2
SCHEMBL5733947 0.74 GAA (0.75) GAAACLYTSHRPOLBMAPT
SCHEMBL7970831 0.74 GAA (0.53) GAAACLYRAB9ANPC1SMN1; SMN2
SCHEMBL5736775 0.72 GAA (0.48) GAAACLYRAB9ANPC1MAPT

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-2001055136-A1 BENZOXAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed