SCHEMBL5273291

SCHEMBL5273291

O=[N+]([O-])C1(Cc2ccccc2)N=NN=N1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CPA1 P15085 3/20 0.34
ELANE P08246 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
PIN1 Q13526 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
SCHEMBL5282506 0.69 MAOB (0.43) ALDH1A1MAOAMAOB
SCHEMBL6002827 0.67 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HTTLMNAMAOA
SCHEMBL5277457 0.67 LMNA (0.38) ALDH1A1MAPTPOLBSMN1; SMN2KDM4E
SCHEMBL5282094 0.66 OPRL1 (0.42) ALDH1A1MAOAMAOB
SCHEMBL3034490 0.66 MAOA (0.40) ALDH1A1KDM4EMAOAMAOBELANE
SCHEMBL5278331 0.66 MAOA (0.40) ALDH1A1MAOAMAOBELANE
SCHEMBL5284942 0.66 MAOA (0.40) ALDH1A1MAOAMAOB
SCHEMBL5282457 0.66 MAOA (0.40) ALDH1A1MAOAMAOBELANE
SCHEMBL22032520 0.66 MAOA (0.40) ALDH1A1MAOAMAOBELANE
SCHEMBL5277481 0.66 ELANE (0.40) MAOAMAOBELANE

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-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed