SCHEMBL11539366

SCHEMBL11539366

Sc1ccc2c(c1)Sc1ccc(Cl)cc1N2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 10/20 0.65
BCHE P06276 3/20 0.65
ACHE P22303 3/20 0.65
GAA P10253 5/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPK13 O15264 1/20 0.43
DAPK3 O43293 1/20 0.43
ROCK2 O75116 1/20 0.43
CHEK2 O96017 1/20 0.43
PIM1 P11309 1/20 0.43
CDK2 P24941 1/20 0.43
RECQL P46063 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CSNK2A1 P68400 1/20 0.43
PRKCZ Q05513 1/20 0.43
PRKAA1 Q13131 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL28117917 0.88 NOX1 (0.76) NOX1BCHEACHEGAAMAPT
SCHEMBL28117966 0.84 NOX1 (0.81) NOX1BCHEACHEGAAMAPT
SCHEMBL29276729 0.80 NOX1 (0.65) NOX1BCHEACHEGAAMAPT
SCHEMBL1855994 0.80 NOX1 (0.65) NOX1BCHEACHEGAAMAPT
SCHEMBL28635096 0.80 NOX1 (0.65) NOX1BCHEACHEGAAMAPT
SCHEMBL7673182 0.80 NOX1 (0.62) NOX1BCHEACHEGAAMAPT
SCHEMBL30697368 0.80 NOX1 (0.62) NOX1BCHEACHEGAAMAPT
SCHEMBL11536205 0.79 NOX1 (0.65) NOX1BCHEACHEGAAMAPT
SCHEMBL29384266 0.79 NOX1 (1.00) NOX1BCHEACHEGAAMAPT
SCHEMBL4706434 0.79 NOX1 (0.68) NOX1BCHEACHEGAAMAPT

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
US-4155874-A AZINE DYES, DRUGS, CHARGE TRANSFER COMPLEXES WEST LABORATORIES, INC. (US) 1979-05-22 US disclosed