SCHEMBL5278331

SCHEMBL5278331

BrC1(Cc2ccccc2)N=NN=N1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.40
MAOB P27338 7/20 0.40
TSHR P16473 2/20 0.39
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CALM1 P0DP23 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM1A O60341 4/20 0.33
IDO1 P14902 1/20 0.33
TP53 P04637 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
ELANE P08246 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 0.76 MAOB (0.43) MAOAMAOBTSHRTRPA1ALDH1A1
SCHEMBL5282457 0.73 MAOA (0.40) MAOAMAOBTSHRTRPA1ALDH1A1
SCHEMBL3034490 0.73 MAOA (0.40) MAOAMAOBTSHRTRPA1ALDH1A1
SCHEMBL9873163 0.73 MAOB (0.50) MAOAMAOBCALM1KDM1ALOXL2
SCHEMBL5277481 0.73 ELANE (0.40) MAOAMAOBTSHRCALM1TP53
SCHEMBL9978691 0.73 MAOB (0.40) MAOAMAOBTSHRTRPA1ALDH1A1
SCHEMBL5282094 0.73 OPRL1 (0.42) MAOAMAOBTSHRTRPA1ALDH1A1
SCHEMBL5274344 0.73 MAOA (0.40) MAOAMAOBTSHRTRPA1ALDH1A1
SCHEMBL22032520 0.73 MAOA (0.40) MAOAMAOBTSHRTRPA1ALDH1A1
SCHEMBL5284942 0.73 MAOA (0.40) MAOAMAOBTSHRTRPA1ALDH1A1

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