SCHEMBL6001852

SCHEMBL6001852

CC(O)Nc1ccc(O)cc1[N+](=O)[O-].CC(O)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
TDP1 Q9NUW8 5/20 0.51
MAPK1 P28482 4/20 0.51
GAA P10253 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
PKM P14618 1/20 0.51
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
HCAR3 P49019 4/20 0.47
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CASP7 P55210 1/20 0.42
KCNMA1 Q12791 2/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL129286 0.93 HCAR3 (0.52) MAPTTDP1MAPK1MEN1KMT2A
SCHEMBL128849 0.88 KMT2A (0.53) MAPTTDP1MAPK1GAAMEN1
SCHEMBL30128459 0.88 KMT2A (0.53) MAPTTDP1MAPK1GAAMEN1
SCHEMBL19030004 0.84 TDP1 (0.49) MAPTTDP1MAPK1GAAMEN1
SCHEMBL2838098 0.81 CRHBP (0.43) MAPTTDP1MAPK1GAAMEN1
SCHEMBL28558294 0.80 HCAR3 (0.51) MAPTTDP1MAPK1KMT2ACRHBP
SCHEMBL4626839 0.78 TSHR (0.53) GAACRHBPCRHR2HCAR3ALDH1A1
SCHEMBL1888218 0.78 HCAR3 (0.54) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL6156984 0.78 CRHBP (0.65) MAPTTDP1MAPK1GAAMEN1
SCHEMBL688641 0.77 HCAR3 (0.52) MAPTMEN1KMT2ACRHBPCRHR2

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-2006087194-A2 DYE COMPOSITION COMPRISING AN OXONOL TYPE METHINE DIRECT DYE, PROCESS FOR IMPLEMENTATION AND USES THEREOF L'OREAL (FR) 2006-08-24 WO disclosed