SCHEMBL7545283

SCHEMBL7545283

O=[N+]([O-])c1cc(F)c(N2CCCCC2)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.69
MAPT P10636 10/20 0.67
PKM P14618 1/20 0.67
ALDH1A1 P00352 8/20 0.64
LMNA P02545 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP3A4 P08684 1/20 0.64
GAA P10253 1/20 0.62
GPR174 Q9BXC1 4/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL7546017 0.85 MAPT (0.71) MAPK1MAPTPKMALDH1A1LMNA
SCHEMBL7544057 0.85 MAPT (0.69) MAPK1MAPTPKMALDH1A1LMNA
SCHEMBL3537291 0.83 ALDH1A1 (0.74) MAPK1MAPTPKMALDH1A1LMNA
SCHEMBL8069195 0.82 MAPT (0.69) MAPK1MAPTPKMALDH1A1LMNA
SCHEMBL8069380 0.82 MAPT (0.69) MAPK1MAPTPKMALDH1A1LMNA
SCHEMBL3535719 0.81 ALDH1A1 (0.77) MAPK1MAPTPKMALDH1A1LMNA
SCHEMBL8071105 0.80 MAPT (0.68) MAPK1MAPTPKMALDH1A1LMNA
SCHEMBL22578965 0.79 MAPT (0.65) MAPK1MAPTPKMALDH1A1LMNA
SCHEMBL5235247 0.78 MAPK1 (0.64) MAPK1MAPTPKMALDH1A1LMNA
SCHEMBL5236640 0.78 MAPK1 (0.64) MAPK1MAPTPKMALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970040-B1 METHOD FOR PRODUCING N-CARBOXYALKYL-3-FLUORO-4-DIALKYLAMINONILINES CLARIANT GMBH (DE) 2002-06-12 EP claimed
EP-0970040-A1 METHOD FOR PRODUCING N-CARBOXYALKYL-3-FLUORO-4-DIALKYLAMINONILINES Clariant GmbH (DE) 2000-01-12 EP claimed
WO-1998040348-A1 METHOD FOR PRODUCING N-CARBOXYALKYL-3-FLUORO-4-DIALKYLAMINONILINES CLARIANT GMBH (DE) 1998-09-17 WO claimed
EP-0970040-B1 METHOD FOR PRODUCING N-CARBOXYALKYL-3-FLUORO-4-DIALKYLAMINONILINES CLARIANT GMBH (DE) 2002-06-12 EP disclosed
EP-0970040-A1 METHOD FOR PRODUCING N-CARBOXYALKYL-3-FLUORO-4-DIALKYLAMINONILINES Clariant GmbH (DE) 2000-01-12 EP disclosed
US-5990309-A 2-chloro-5-fluoro-4-morpholinonitrobenzene and 2-chloro-5-fluoro-4-morpholinoaniline CLARIANT GMBH (DE) 1999-11-23 US disclosed
US-5917037-A Process for the preparation of n-carboxyalkyl-3-fluoro-4-dialkylaminoanilines CLARIANT GMBH (DE) 1999-06-29 US disclosed
WO-1998040348-A1 METHOD FOR PRODUCING N-CARBOXYALKYL-3-FLUORO-4-DIALKYLAMINONILINES CLARIANT GMBH (DE) 1998-09-17 WO disclosed