SCHEMBL7065694

SCHEMBL7065694

CCC(CCC(=O)O)Oc1cc(C)c(NC(=O)C(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
HPGD P15428 4/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 5/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CES2 O00748 1/20 0.32
ACHE P22303 1/20 0.32
CES1 P23141 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL7067283 0.81 MCL1 (0.42) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL7067278 0.81 MCL1 (0.42) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL7065691 0.78 ALDH1A1 (0.36) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL18298826 0.76 ALDH1A1 (0.41) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL6488315 0.74 MAPT (0.42) ALDH1A1HPGDGAAKMT2AMAPT
SCHEMBL7066317 0.71 KMT2A (0.47) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL15985062 0.70 ALDH1A1 (0.44) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL7129395 0.69 MEN1 (0.39) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL11147862 0.69 LMNA (0.42) ALDH1A1LMNA
SCHEMBL6488469 0.68 SMN1; SMN2 (0.43) ALDH1A1HPGDGAAMEN1KMT2A

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