SCHEMBL7130860

SCHEMBL7130860

CCC(COc1ccc(NC(C)=O)c([N+](=O)[O-])c1)C(C)(C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
RAB9A P51151 8/20 0.49
SMN1; SMN2 Q16637 7/20 0.49
NPC1 O15118 7/20 0.49
KMT2A Q03164 5/20 0.49
MAPK1 P28482 3/20 0.49
MEN1 O00255 3/20 0.49
PKM P14618 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.49
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.43
TP53 P04637 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
SCHEMBL11003186 0.80 KMT2A (0.53) MAPTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL11295618 0.79 MAPT (0.68) MAPTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL11406573 0.78 KMT2A (0.59) MAPTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL7130856 0.78 KMT2A (0.53) MAPTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL11659558 0.77 MAPT (0.64) MAPTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL11839764 0.77 RAB9A (0.56) MAPTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL10494862 0.76 ALDH1A1 (0.50) MAPTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL7045956 0.75 KMT2A (0.53) MAPTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL11235710 0.75 RAB9A (0.66) MAPTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL10494872 0.75 KMT2A (0.48) MAPTRAB9ASMN1; SMN2NPC1KMT2A

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