SCHEMBL5280804

SCHEMBL5280804

FC1(c2ccccc2)N=NN=N1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.39
MAOA P21397 4/20 0.39
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 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
SCHEMBL5275595 0.75 MAOB (0.39) MAOBMAOABACE1BACE2
SCHEMBL434296 0.74 KMT2A (0.33) CYP2C9BLMPMP22KMT2AHTR2A
SCHEMBL5274311 0.72 OPRM1 (0.33) MAOBMAOABACE1BACE2LMNA
SCHEMBL80368 0.72 KIF11 (0.43) MAOBMAOA
Bromide SCHEMBL29801969 0.70 OPRM1 (0.32) MAOBMAOABACE1BACE2LMNA
SCHEMBL3925565 0.70 GAA (0.41) MAOBMAOALMNAGLAKMT2A
SCHEMBL5274478 0.68 ALDH1A1 (0.31) MAOBMAOALMNAGLAKMT2A
SCHEMBL5168618 0.68 OPRM1 (0.31) MAOBMAOA
SCHEMBL7551055 0.68 PNMT (0.39) MAOBMAOA
SCHEMBL4666989 0.68 CYP2C9 (0.33) BACE1BACE2LMNAGLATHRB

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