SCHEMBL5277481

SCHEMBL5277481

CC1(Cc2ccccc2)N=NN=N1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.36
CALM1 P0DP23 1/20 0.36
BACE1 P56817 1/20 0.36
CYP19A1 P11511 2/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL3815019 0.78 GAA (0.41) ELANEMAOAMAOBGAABACE1
SCHEMBL23039225 0.77 ELANE (0.40) ELANEMAOAMAOBTP53GAA
SCHEMBL5282506 0.76 MAOB (0.43) MAOAMAOBTP53CALM1TSHR
SCHEMBL5280214 0.74 TP53 (0.41) ELANEMAOAMAOBTP53CALM1
SCHEMBL3034490 0.73 MAOA (0.40) ELANEMAOAMAOBTP53CALM1
SCHEMBL5274344 0.73 MAOA (0.40) ELANEMAOAMAOBTP53CALM1
SCHEMBL5278331 0.73 MAOA (0.40) ELANEMAOAMAOBTP53CALM1
SCHEMBL22032520 0.73 MAOA (0.40) ELANEMAOAMAOBTP53CALM1
SCHEMBL5282094 0.73 OPRL1 (0.42) MAOAMAOBTP53CALM1BACE1
SCHEMBL5284942 0.73 MAOA (0.40) MAOAMAOBTP53CALM1BACE1

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