SCHEMBL7130856

SCHEMBL7130856

CCC(CC(C)(C)C(=O)O)Oc1ccc(NC(C)=O)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.53
MAPT P10636 6/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 7/20 0.45
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
MAPK1 P28482 4/20 0.45
POLB P06746 2/20 0.45
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TP53 P04637 1/20 0.44
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL7130860 0.78 MAPT (0.49) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL29370463 0.75 MAPT (0.57) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL11295618 0.75 MAPT (0.68) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL5952505 0.75 MAPT (0.57) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL6525254 0.75 MAPT (0.62) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL9819647 0.74 MAPT (0.56) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL7066317 0.74 KMT2A (0.47) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL11406573 0.74 KMT2A (0.59) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL8784838 0.74 RAB9A (0.69) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL11659558 0.73 MAPT (0.64) KMT2AMEN1MAPTNPSR1SMN1; SMN2

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