SCHEMBL7558801

SCHEMBL7558801

Nc1cccc2c1Oc1ccccc1N2

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.59
DHODH Q02127 1/20 0.39
HTR2B P41595 2/20 0.37
HTR7 P34969 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AHR P35869 2/20 0.34
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PARP1 P09874 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL18903054 0.81 NPC1 (0.38) ALOX5HTR2BHTR7KMT2AGAA
SCHEMBL5357237 0.80 MAPT (0.45) ALOX5MEN1KMT2ANPSR1CYP3A4
Hydrochloric Acid SCHEMBL5362202 0.79 MAPT (0.44) ALOX5MEN1KMT2ANPSR1CYP3A4
SCHEMBL89676 0.77 ALOX5 (0.59) ALOX5DHODHHTR2BHTR7MEN1
SCHEMBL31191625 0.77 ALOX5 (0.59) ALOX5DHODHHTR2BHTR7MEN1
SCHEMBL11537969 0.77 ALOX5 (0.59) ALOX5DHODHHTR7MEN1KMT2A
SCHEMBL5119557 0.77 ALOX5 (0.59) ALOX5DHODHHTR2BHTR7MEN1
SCHEMBL19745771 0.77 ALOX5 (0.59) ALOX5DHODHHTR2BHTR7MEN1
SCHEMBL20879877 0.77 ALOX5 (0.59) ALOX5DHODHHTR2BHTR7MEN1
SCHEMBL31191635 0.77 ALOX5 (0.59) ALOX5DHODHMEN1KMT2AGAA

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-1227111-A1 TRIPHENYLBORON-CONTAINING POLYMERS AND USE THEREOF Yoshitomi Fine Chemicals, Ltd. (JP) 2002-07-31 EP disclosed