SCHEMBL7066317

SCHEMBL7066317

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 4/20 0.47
SMN1; SMN2 Q16637 7/20 0.43
RAB9A P51151 7/20 0.43
MAPT P10636 6/20 0.43
NPC1 O15118 6/20 0.43
MAPK1 P28482 5/20 0.43
POLB P06746 2/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CYP2C9 P11712 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL7068935 0.83 AAK1 (0.41)
SCHEMBL28885280 0.80 MAPT (0.61) KMT2AMEN1SMN1; SMN2RAB9AMAPT
SCHEMBL7066309 0.79 RAB9A (0.47) KMT2AMEN1SMN1; SMN2RAB9AMAPT
SCHEMBL977967 0.78 MEN1 (0.66) KMT2AMEN1SMN1; SMN2RAB9AMAPT
SCHEMBL5563288 0.75 MEN1 (0.50) KMT2AMEN1SMN1; SMN2RAB9AMAPT
SCHEMBL5562070 0.75 KMT2A (0.50) KMT2AMEN1SMN1; SMN2RAB9AMAPT
SCHEMBL7065219 0.74 IDO1 (0.38) KMT2AMEN1SMN1; SMN2MAPTPKM
SCHEMBL7130856 0.74 KMT2A (0.53) KMT2AMEN1SMN1; SMN2RAB9AMAPT
SCHEMBL8664998 0.74 TDP1 (0.56) KMT2AMEN1SMN1; SMN2RAB9AMAPT
SCHEMBL31365089 0.74 ALDH1A1 (0.58) KMT2ASMN1; SMN2RAB9AMAPTNPC1

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