SCHEMBL4415079

SCHEMBL4415079

CCCn1nnnc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL4405924 0.89 HTT (0.40) ALDH1A1KMT2AMEN1CYP2C19POLB
SCHEMBL4404541 0.88 CNR1 (0.38) ALDH1A1KMT2AMEN1CYP2C19
SCHEMBL4405439 0.86 SLC9A1 (0.39) ALDH1A1KMT2AMEN1CYP2C19
SCHEMBL4405624 0.85 ALDH1A1 (0.41) CYP1A2ALDH1A1KMT2AMEN1CYP2C19
SCHEMBL4405823 0.76 MEN1 (0.31) KMT2AMEN1MAPT
SCHEMBL4410864 0.76 MAPT (0.39) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL4413128 0.74
SCHEMBL28061180 0.73 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL4408056 0.70 PKM (0.30) SMN1; SMN2
SCHEMBL4406626 0.69 LMNA (0.50) ALDH1A1KMT2AMEN1MAPTLMNA

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-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed