SCHEMBL9636667

SCHEMBL9636667

CC(O)Nc1cc(CCO)c([N+](=O)[O-])c(CCO)c1N

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.32

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
SCHEMBL5175161 0.73 MAPT (0.40) MAPTPOLB
SCHEMBL211655 0.71 HTT (0.39) MAPTPOLBHTT
SCHEMBL9820373 0.70 POLB (0.33) POLBHTT
SCHEMBL123882 0.70 GPR35 (0.39) POLBHTT
SCHEMBL8849833 0.70 SNCA (0.38) POLBHTT
SCHEMBL10580316 0.69 MAPT (0.42) MAPTPOLB
SCHEMBL8108409 0.69 ALDH1A1 (0.39) MAPTPOLBHTT
SCHEMBL9023280 0.68 MAPT (0.37) MAPTPOLBHTT
SCHEMBL6293659 0.68 TSHR (0.38) MAPTPOLBHTT
SCHEMBL210590 0.68 MAPT (0.43) MAPTPOLBHTTATM

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
EP-0489775-A1 HAIR-DYEING PROCESS USING DIRECT DYES Henkel Kommanditgesellschaft auf Aktien (DE) 1992-06-17 EP disclosed
WO-1991003231-A1 HAIR-DYEING PROCESS USING DIRECT DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1991-03-21 WO disclosed