SCHEMBL8090872

SCHEMBL8090872

Cc1ccc2c(c1C)NCCN2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
POLB P06746 1/20 0.30
NISCH Q9Y2I1 1/20 0.30

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
SCHEMBL19657537 0.73 CREBBP (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL31357070 0.73 CREBBP (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL12718887 0.71 NOTUM (0.48) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7659924 0.71 PARP10 (0.39) KDM4EMEN1KMT2AALOX15HSD17B10
SCHEMBL3744568 0.68 SRC (0.38) KDM4EMEN1KMT2AALOX15HSD17B10
SCHEMBL10027765 0.67 ALDH1A1 (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL13036175 0.67 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL17319496 0.67 KDM4E (0.32) KDM4EHSD17B10GAA
SCHEMBL22679489 0.67 ADRA2A (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL19422031 0.66 KDM4E (0.32) KDM4EMEN1KMT2AALOX15HSD17B10

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 4 patents. 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
US-5752984-A Use of 1,2,3,4-tetrahydroquinoxalines as oxidation dye precursors in oxidative coloring formulations HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-05-19 US disclosed
EP-0743849-A1 USE OF 1,2,3,4-TETRAHYDROQUINOXALINES AS OXIDATION DYE PRECURSORS IN OXIDATION DYES Henkel Kommanditgesellschaft auf Aktien (DE) 1996-11-27 EP disclosed
WO-1995021604-A1 USE OF 1,2,3,4-TETRAHYDROQUINOXALINES AS OXIDATION DYE PRECURSORS IN OXIDATION DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-08-17 WO disclosed