SCHEMBL7066309

SCHEMBL7066309

CCC(CCOc1ccc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.47
MAPT P10636 8/20 0.47
NPC1 O15118 8/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
MAPK1 P28482 4/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 4/20 0.47
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 2/20 0.46
LMNA P02545 1/20 0.46
CYP2C19 P33261 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL7068930 0.84 AAK1 (0.42) KMT2AMEN1GAA
SCHEMBL28885280 0.83 MAPT (0.61) RAB9AMAPTNPC1SMN1; SMN2MAPK1
SCHEMBL7066317 0.79 KMT2A (0.47) RAB9AMAPTNPC1SMN1; SMN2MAPK1
SCHEMBL6500650 0.79 MAPT (0.52) RAB9AMAPTNPC1SMN1; SMN2MAPK1
SCHEMBL5562070 0.78 KMT2A (0.50) RAB9AMAPTNPC1SMN1; SMN2MAPK1
SCHEMBL8664998 0.78 TDP1 (0.56) RAB9AMAPTNPC1SMN1; SMN2MAPK1
SCHEMBL977967 0.77 MEN1 (0.66) RAB9AMAPTNPC1SMN1; SMN2MAPK1
SCHEMBL28773196 0.77 KDM4E (0.58) RAB9AMAPTNPC1SMN1; SMN2MAPK1
SCHEMBL14224679 0.75 KDM4E (0.60) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL7065211 0.75 IDO1 (0.39) MAPTSMN1; SMN2PKML3MBTL1KMT2A

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-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 WO disclosed