SCHEMBL6216072

SCHEMBL6216072

CC(C)=CC(=O)O.CC1Cc2ccc([N+](=O)[O-])cc2N1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 4/20 0.40
LMNA P02545 2/20 0.40
PNMT P11086 3/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
POLB P06746 1/20 0.38
WDR5 P61964 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TNF P01375 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
SCHEMBL4611589 0.86 ALDH1A1 (0.50) MAPTKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL5798736 0.76 MAPT (0.67) MAPTKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL27786942 0.76 ROCK1 (0.54) MAPTKDM4EHTTALDH1A1SMN1; SMN2
Quinoline SCHEMBL28002472 0.72 ROCK1 (0.44) MAPTKDM4EHTTKMT2AALDH1A1
SCHEMBL7416582 0.69 KDM4E (0.67) MAPTKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL27361705 0.69 RECQL (0.47) MAPTKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL3146468 0.67 MAPT (0.45) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL24869941 0.66 PNMT (0.55) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL7513906 0.65 PNMT (0.54) PNMTADRA2AADRA2BADRA2C
SCHEMBL20594621 0.65 ALDH1A1 (0.49) KDM4EALDH1A1SMN1; SMN2SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583744-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2005-10-12 EP disclosed
EP-1562933-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS Amgen Inc. (US) 2005-08-17 EP disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO disclosed