SCHEMBL7572844

SCHEMBL7572844

C=CCN(CC=C)c1cc(Cl)c([N+](=O)[O-])cc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.36
VCAM1 P19320 10/20 0.36
CYP3A4 P08684 1/20 0.36
SLC6A4 P31645 1/20 0.34
PGK1 P00558 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7545601 0.81 ALDH3A1 (0.46) ALDH1A1MAPK1MAPTSMN1; SMN2TSHR
SCHEMBL11879757 0.76 CYP19A1 (0.44) MAPT
SCHEMBL6084022 0.75 VCAM1 (0.44) ALDH1A1MAPK1MAPTTSHRVCAM1
SCHEMBL28808502 0.74 MAPK1 (0.53) ALDH1A1MAPK1MAPTLMNASMN1; SMN2
SCHEMBL12051112 0.73 ALDH1A1 (0.42) ALDH1A1MAPK1MAPTLMNASMN1; SMN2
SCHEMBL18360144 0.72 KEAP1 (0.38) ALDH1A1SMN1; SMN2TSHRTDP1
SCHEMBL12051117 0.72 ALDH1A1 (0.41) ALDH1A1MAPK1MAPTLMNASMN1; SMN2
SCHEMBL2477068 0.72 TSHR (0.52) ALDH1A1MAPK1TSHRVCAM1CYP3A4
SCHEMBL29653309 0.72 TSHR (0.52) ALDH1A1MAPK1TSHRVCAM1CYP3A4
SCHEMBL18360143 0.71 ALDH1A1 (0.38) ALDH1A1PGK1

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 22 patents — showing the first 20. 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
US-5917037-A Process for the preparation of n-carboxyalkyl-3-fluoro-4-dialkylaminoanilines CLARIANT GMBH (DE) 1999-06-29 US claimed
US-5917036-A Process for the preparation of N-carboxyalkyl-3-fluoro-4-dialkylaminoanilines CLARIANT GMBH (DE) 1999-06-29 US claimed
WO-1998040348-A1 METHOD FOR PRODUCING N-CARBOXYALKYL-3-FLUORO-4-DIALKYLAMINONILINES CLARIANT GMBH (DE) 1998-09-17 WO claimed
EP-0863129-A1 Process for the preparation of N-carboxyalkyl-3-fluoro-4-diaklylaminoanilines Clariant GmbH (DE) 1998-09-09 EP claimed
JP-11001463-A None JP disclosed
EP-0970040-B1 METHOD FOR PRODUCING N-CARBOXYALKYL-3-FLUORO-4-DIALKYLAMINONILINES CLARIANT GMBH (DE) 2002-06-12 EP disclosed
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
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-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
US-5917037-A Process for the preparation of n-carboxyalkyl-3-fluoro-4-dialkylaminoanilines CLARIANT GMBH (DE) 1999-06-29 US disclosed
JP-H111463-A PRODUCTION OF N-CARBOXYALKYL-3-FLUORO-4-DIALKYLAMINOANILINE CLARIANT GMBH 1999-01-06 JP disclosed
WO-1998040348-A1 METHOD FOR PRODUCING N-CARBOXYALKYL-3-FLUORO-4-DIALKYLAMINONILINES CLARIANT GMBH (DE) 1998-09-17 WO disclosed
WO-1998040348-A1 METHOD FOR PRODUCING N-CARBOXYALKYL-3-FLUORO-4-DIALKYLAMINONILINES CLARIANT GMBH (DE) 1998-09-17 WO disclosed
EP-0863129-A1 Process for the preparation of N-carboxyalkyl-3-fluoro-4-diaklylaminoanilines Clariant GmbH (DE) 1998-09-09 EP disclosed
EP-0863129-A1 Process for the preparation of N-carboxyalkyl-3-fluoro-4-diaklylaminoanilines Clariant GmbH (DE) 1998-09-09 EP disclosed