SCHEMBL5596413

SCHEMBL5596413

[c]1ccnc(NCCc2cnc[nH]2)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
MKNK1 Q9BUB5 3/20 0.46
MKNK2 Q9HBH9 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
PRKACA P17612 1/20 0.42
QPCT Q16769 1/20 0.42
QPCTL Q9NXS2 1/20 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
SCHEMBL5596291 0.71 OGA (0.51) MKNK1MKNK2CYP1A2
SCHEMBL5597057 0.70 HPGD (0.54) HRH3MEN1MAPTKMT2AHRH4
SCHEMBL5596716 0.70 ALDH1A1 (0.40) MEN1ALDH1A1KMT2AHRH4CYP1A2
SCHEMBL5596570 0.67 KCNH3 (0.41) ALDH1A1MAPTMKNK1MKNK2CYP1A2
SCHEMBL13073926 0.66 HRH3 (0.77) HRH3MEN1ALDH1A1MAPTKMT2A
SCHEMBL5596251 0.66 HPGD (0.45) HRH3MEN1KMT2AHRH4
SCHEMBL8963903 0.66 HRH3 (0.73) HRH3MEN1ALDH1A1MAPTKMT2A
SCHEMBL26259806 0.66
SCHEMBL13036472 0.65 HRH3 (0.78) HRH3MEN1ALDH1A1MAPTKMT2A
SCHEMBL5596807 0.65 LMNA (0.59) MEN1ALDH1A1MAPTKMT2ACYP1A2

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-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 EP claimed