SCHEMBL8090871

SCHEMBL8090871

Nc1ccc2c(c1)NCCN2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
KDM4E B2RXH2 6/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
GAA P10253 5/20 0.48
NPC1 O15118 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
APAF1 O14727 1/20 0.40
CA9 Q16790 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CASP1 P29466 2/20 0.35
RECQL P46063 2/20 0.35
CASP7 P55210 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
Hydrochloric Acid SCHEMBL8651609 0.98 KDM4E (0.47) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL29857954 0.85 MAPT (0.40) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL4594991 0.85 MAPT (0.40) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL19203466 0.76 CA9 (0.59) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL1880170 0.75 DRD2 (0.59) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL29642933 0.75 DRD2 (0.59) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL94057 0.75 MAPT (0.53) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL2062448 0.74 HTR2A (0.38) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL2062046 0.74 RET (0.41) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL2062026 0.74 KDM4E (0.41) MAPTKDM4EMEN1KMT2AGAA

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-0743849-B1 USE OF 1,2,3,4-TETRAHYDROQUINOXALINES AS OXIDATION DYE PRECURSORS IN OXIDATION DYES HENKEL KGAA (DE) 2000-11-08 EP disclosed