SCHEMBL4411244

SCHEMBL4411244

CCCCc1nnnn1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL4410848 0.95 ATM (0.35) ALDH1A1NPC1ATMSMN1; SMN2LMNA
SCHEMBL4405374 0.93 LMNA (0.37) ALDH1A1NPC1ATMSMN1; SMN2LMNA
SCHEMBL4407807 0.89 NPC1 (0.35) NPC1
SCHEMBL4409006 0.82 NPC1 (0.43) ALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL4416322 0.74 NPC1 (0.32) NPC1
SCHEMBL4405195 0.74 NPC1 (0.32) NPC1
SCHEMBL4409024 0.72 ALDH1A1 (0.41) ALDH1A1LMNA
SCHEMBL4407174 0.71 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL4407247 0.70 ALDH1A1 (0.46) ALDH1A1LMNATSHR
SCHEMBL4408338 0.68 ALDH1A1 (0.41) ALDH1A1LMNA

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