SCHEMBL5280176

SCHEMBL5280176

Cc1c([N+](=O)[O-])nnn1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.41
CHEK1 O14757 1/20 0.41
DAPK3 O43293 1/20 0.41
GRK5 P34947 1/20 0.41
LIMK1 P53667 1/20 0.41
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 4/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 4/20 0.33
HTT P42858 4/20 0.33
LMNA P02545 3/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 2/20 0.33
BLM P54132 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
SCHEMBL5282060 0.78 PKM (0.37) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL5278304 0.78 ALDH1A1 (0.38) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL5275625 0.77 KDM4E (0.48) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL5273686 0.77 PKM (0.36) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL5279981 0.77 PKM (0.36) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL5276702 0.75 PKM (0.35) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL5276496 0.75 SMN1; SMN2 (0.38) KDM4EALDH1A1ATML3MBTL1MAPT
SCHEMBL5277811 0.75 SMN1; SMN2 (0.38) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL5281132 0.74 SMN1; SMN2 (0.36) ALDH1A1ATML3MBTL1MAPTHTT
SCHEMBL5280108 0.74 CYP2C19 (0.32) KDM4EALDH1A1MAPTHTTLMNA

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
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed