SCHEMBL9303323

SCHEMBL9303323

CC(C)(C)OC(=O)N1CCN(c2cc(NC3CC3)c([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GPR174 Q9BXC1 9/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
LMNA P02545 3/20 0.48
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL22724915 0.91 MAPT (0.52) MAPTALDH1A1SMN1; SMN2GPR174MEN1
SCHEMBL22716822 0.89 MAPT (0.57) MAPTALDH1A1SMN1; SMN2GPR174MEN1
SCHEMBL18425295 0.89 ALDH1A1 (0.52) MAPTALDH1A1SMN1; SMN2GPR174MEN1
SCHEMBL30258598 0.89 MAPT (0.57) MAPTALDH1A1SMN1; SMN2GPR174MEN1
SCHEMBL9302533 0.86 GPR174 (0.67) MAPTALDH1A1SMN1; SMN2GPR174MEN1
SCHEMBL4647997 0.86 MAPT (0.47) MAPTALDH1A1SMN1; SMN2GPR174MEN1
SCHEMBL9301599 0.86 MAPT (0.60) MAPTALDH1A1SMN1; SMN2GPR174MEN1
SCHEMBL9302948 0.85 GPR174 (0.54) MAPTALDH1A1SMN1; SMN2GPR174MEN1
SCHEMBL9302938 0.85 GPR174 (0.54) MAPTALDH1A1SMN1; SMN2GPR174MEN1
SCHEMBL4648329 0.85 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2GPR174MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5283248-A Bactericides, enzyme inhibitor of DNA-gyrase in bacteria HOFFMANN-LA ROCHE INC. (US) 1994-02-01 US disclosed
EP-0433648-A1 Substituted pyrimidobenzimidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-06-26 EP disclosed