SCHEMBL6001204

SCHEMBL6001204

Nc1cc([N+](=O)[O-])ccc1NC(CO)(CO)CO.Nc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
THRB P10828 1/20 0.53
TDP1 Q9NUW8 6/20 0.52
MAPT P10636 4/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
GFER P55789 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ATM Q13315 1/20 0.52
GPR35 Q9HC97 2/20 0.43
CXCR2 P25025 4/20 0.42
CXCR1 P25024 3/20 0.42
RECQL P46063 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 3/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 2/20 0.42

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
SCHEMBL29452975 0.93 MAPT (0.55) GAATHRBTDP1MAPTKMT2A
SCHEMBL123429 0.93 MAPT (0.55) GAATHRBTDP1MAPTKMT2A
SCHEMBL29835045 0.79 GAA (0.74) GAATHRBTDP1MAPTKMT2A
SCHEMBL123756 0.79 GAA (0.74) GAATHRBTDP1MAPTKMT2A
SCHEMBL8603744 0.78 PKM (0.50) GAATDP1MAPTKMT2AMEN1
SCHEMBL19950502 0.77 GAA (0.71) GAATHRBTDP1MAPTKMT2A
SCHEMBL5123356 0.77 GAA (0.71) GAATHRBTDP1MAPTKMT2A
Hydrochloric Acid SCHEMBL11638072 0.77 GAA (0.71) GAATHRBTDP1MAPTKMT2A
SCHEMBL19950590 0.77 GAA (0.71) GAATHRBTDP1MAPTKMT2A
SCHEMBL19950669 0.77 GAA (0.71) GAATHRBTDP1MAPTKMT2A

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
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
WO-2006087195-A2 DYE COMPOSITION COMPRISING AT LEAST ONE METHINE DYE OF PARTICULAR STRUCTURE AND PROCESS FOR IMPLEMENTATION THEREOF L'OREAL (FR) 2006-08-24 WO disclosed