SCHEMBL10568642

SCHEMBL10568642

COc1ccccc1N=Nc1ccc(N)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.65
MEN1 O00255 8/20 0.65
MAPT P10636 10/20 0.53
RAB9A P51151 5/20 0.53
HTT P42858 2/20 0.53
PKM P14618 1/20 0.53
L3MBTL1 Q9Y468 6/20 0.50
TDP1 Q9NUW8 5/20 0.50
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 6/20 0.45
MAPK1 P28482 4/20 0.45
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 2/20 0.44
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
ADRA2B P18089 1/20 0.44
PTGS1 P23219 1/20 0.44
LMNA P02545 2/20 0.42

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
SCHEMBL10568638 1.00 KMT2A (0.65) KMT2AMEN1MAPTRAB9AHTT
SCHEMBL1405267 0.85 KMT2A (0.58) KMT2AMEN1MAPTRAB9AHTT
SCHEMBL1405268 0.85 KMT2A (0.58) KMT2AMEN1MAPTRAB9AHTT
SCHEMBL31071661 0.85 KMT2A (0.58) KMT2AMEN1MAPTRAB9AHTT
Fluoride SCHEMBL28089840 0.83 KMT2A (0.57) KMT2AMEN1MAPTRAB9AHTT
SCHEMBL1405475 0.82 CA1 (0.60) KMT2AMEN1MAPTRAB9AHTT
SCHEMBL1405477 0.82 CA1 (0.60) KMT2AMEN1MAPTRAB9AHTT
SCHEMBL11779529 0.82 KMT2A (0.56) KMT2AMEN1MAPTHTTL3MBTL1
SCHEMBL11330630 0.82 KMT2A (0.56) KMT2AMEN1MAPTRAB9AHTT
SCHEMBL5720615 0.82 MAPT (0.50) KMT2AMEN1MAPTRAB9AHTT

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
US-4839468-A WATER SOLUBLE DYES BAYER AKTIENGESELLSCHAFT (DE) 1989-06-13 US disclosed
EP-0062825-B1 WATER-SOLUBLE TRIAZINE COMPOUNDS, THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1987-03-11 EP disclosed
EP-0062825-A2 Water-soluble triazine compounds, their preparation and their use BAYER AG (DE) 1982-10-20 EP disclosed
US-4056367-A DYEING PETROLEUM, INKS, FATS, WAXES, PLASTICS PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-11-01 US disclosed