SCHEMBL5280938

SCHEMBL5280938

Cn1nnc(F)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
CHEK1 O14757 1/20 0.33
DAPK3 O43293 1/20 0.33
GRK5 P34947 1/20 0.33
LIMK1 P53667 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
MITF O75030 1/20 0.32
ALPL P05186 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
APEX1 P27695 1/20 0.32
APOBEC3A P31941 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
APOBEC3G Q9HC16 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
SCHEMBL5282060 0.77 PKM (0.37) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL5282926 0.77 PKM (0.46) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL5282629 0.77 PKM (0.37) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL5279426 0.76 TOP2A (0.36) POLB
SCHEMBL5275091 0.75 PKM (0.36) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL5279596 0.75 TOP2A (0.33) CYP1A2CYP2C19SMN1; SMN2
SCHEMBL5277607 0.75 ALDH1A1 (0.41) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL5273637 0.75 NPC1 (0.33)
SCHEMBL5277083 0.73 TOP2A (0.38) HTTAPOBEC3G
SCHEMBL5279970 0.72 PKM (0.34) PKMCHEK1DAPK3GRK5LIMK1

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