SCHEMBL8133377

SCHEMBL8133377

CN(C)C(=N)N(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 2/20 0.39
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
FAAH O00519 1/20 0.39
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL1869626 0.85 NPSR1 (0.55) SIGMAR1NPSR1ALDH1A1KMT2AL3MBTL1
Phosphine SCHEMBL28543340 0.82 NPSR1 (0.52) SIGMAR1NPSR1ALDH1A1KMT2AL3MBTL1
SCHEMBL28255180 0.76 NPSR1 (0.41) SIGMAR1NPSR1ALDH1A1KMT2AL3MBTL1
SCHEMBL10641888 0.75 FAAH (0.52) SIGMAR1KMT2AL3MBTL1MEN1HTT
SCHEMBL10641896 0.75 FAAH (0.52) SIGMAR1KMT2AL3MBTL1MEN1HTT
SCHEMBL940902 0.75 NPSR1 (0.50) SIGMAR1NPSR1ALDH1A1KMT2AL3MBTL1
SCHEMBL7527033 0.74 NPSR1 (0.40) SIGMAR1NPSR1ALDH1A1KMT2AL3MBTL1
Toluene SCHEMBL28253423 0.73 TSHR (0.55) SIGMAR1NPSR1ALDH1A1KMT2AMEN1
Phenol SCHEMBL28225969 0.73 CA12 (0.55) SIGMAR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL4582110 0.73 SIGMAR1 (0.36) SIGMAR1NPSR1ALDH1A1KMT2AL3MBTL1

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-6124078-A A SOLUBLE ORGANIC PIGMENT FOR INFORMATION RECORDING BY EXPOSING TO ULTRA VIOLET RADIATION, FORMING A POSITIVE IMAGE KONICA CORPORATION (JP) 2000-09-26 US disclosed