SCHEMBL5276702

SCHEMBL5276702

Cn1nnc([N+](=O)[O-])c1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
CHEK1 O14757 1/20 0.32
DAPK3 O43293 1/20 0.32
GRK5 P34947 1/20 0.32
LIMK1 P53667 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 2/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
MITF O75030 1/20 0.31
ALPL P05186 1/20 0.31

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
SCHEMBL5274570 0.82 KDM4E (0.38) PKMKDM4EMAPTALDH1A1GAA
SCHEMBL5283924 0.82 PKM (0.34) PKMKDM4EMAPTALDH1A1GAA
SCHEMBL5279945 0.79 PKM (0.33) PKMKDM4EALDH1A1GAA
SCHEMBL5277456 0.79 KDM4E (0.36) PKMKDM4EALDH1A1GAA
SCHEMBL5278248 0.79 CNR1 (0.35) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5278565 0.78 MAPT (0.32) MAPT
SCHEMBL5275582 0.78 ALDH1A1 (0.32) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL5279016 0.77 CNR1 (0.41) MAPTALDH1A1SMN1; SMN2LMNACYP2C19
SCHEMBL5282060 0.75 PKM (0.37) PKMKDM4EMAPTALDH1A1GAA
SCHEMBL5280176 0.75 PKM (0.41) PKMKDM4EMAPTALDH1A1GAA

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