SCHEMBL6935206

SCHEMBL6935206

Cc1nn(C)c(NCC(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.50
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 4/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 2/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8780365 0.79 PKM (0.53) PKMTDP1MAPTCYP1A2POLB
Hydrochloric Acid SCHEMBL7112027 0.78 PKM (0.51) PKMTDP1MAPTCYP1A2POLB
SCHEMBL6938444 0.77 KDM4E (0.40) PKMKDM4E
SCHEMBL3373070 0.77 PKM (0.61) PKMTDP1MAPTCYP1A2POLB
SCHEMBL27540293 0.77 PKM (0.49) PKMTDP1MAPTCYP1A2POLB
SCHEMBL27530986 0.74 PKM (0.49) PKMTDP1MAPTSMN1; SMN2CYP1A2
SCHEMBL6168001 0.72 PKM (0.44) PKMTDP1MAPTSMN1; SMN2CYP1A2
SCHEMBL1608919 0.72 SMN1; SMN2 (0.61) PKMMAPTSMN1; SMN2CYP1A2POLB
SCHEMBL6168627 0.70 PKM (0.40) PKMTDP1MAPTCYP1A2POLB
SCHEMBL7111868 0.70 MAPT (0.49) PKMTDP1MAPTSMN1; SMN2HTT

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-1304995-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-02 EP disclosed
WO-2002009662-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-02-07 WO disclosed