SCHEMBL4405374

SCHEMBL4405374

CCCCCCc1nnnn1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 3/20 0.36
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
KCNH2 Q12809 1/20 0.32
GGPS1 O95749 2/20 0.31
CYP4Z1 Q86W10 4/20 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
SCHEMBL4410848 0.98 ATM (0.35) LMNATSHRALDH1A1ATMSMN1; SMN2
SCHEMBL4411244 0.93 ALDH1A1 (0.36) LMNATSHRALDH1A1ATMSMN1; SMN2
SCHEMBL4407807 0.86 NPC1 (0.35) NPC1
SCHEMBL4409006 0.79 NPC1 (0.43) LMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL4409391 0.74 ALDH1A1 (0.35) LMNATSHRALDH1A1ATMSMN1; SMN2
SCHEMBL4409040 0.73 CYP1A2 (0.39) LMNATSHRALDH1A1
SCHEMBL4409273 0.72 ALDH1A1 (0.40) LMNATSHRALDH1A1ATMSMN1; SMN2
SCHEMBL4403730 0.72 ALDH1A1 (0.36) LMNATSHRALDH1A1ATMSMN1; SMN2
SCHEMBL20963387 0.72 ALDH1A1 (0.40) LMNATSHRALDH1A1ATMSMN1; SMN2
SCHEMBL4405195 0.71 NPC1 (0.32) NPC1

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