SCHEMBL6829031

SCHEMBL6829031

Nc1ccc(NC(=O)OCCn2cccn2)nc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.41
MAPK1 P28482 1/20 0.39
IDO1 P14902 1/20 0.38
PTGS1 P23219 2/20 0.38
LMNA P02545 3/20 0.36
NLRP3 Q96P20 1/20 0.36
JAK2 O60674 1/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
OPRD1 P41143 1/20 0.34

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
SCHEMBL6831060 0.83 THRB (0.49) THRBMAPK1LMNAKMT2APOLB
SCHEMBL6919997 0.82 CYP1A2 (0.48) LMNAKMT2AALDH1A1
SCHEMBL28588234 0.76 RAB9A (0.50) MAPK1LMNAALDH1A1
SCHEMBL30180494 0.76 RAB9A (0.50) MAPK1LMNAALDH1A1
SCHEMBL6644390 0.73 IDO1 (0.47) THRBIDO1LMNAKMT2APOLB
SCHEMBL6829032 0.72 KMT2A (0.40) THRBIDO1LMNAKMT2AALDH1A1
SCHEMBL6927192 0.69 THRB (0.39) THRBIDO1LMNA
SCHEMBL13403361 0.69 PTGS1 (0.51) PTGS1KMT2A
SCHEMBL29317589 0.69 DEGS1 (0.52) THRBKMT2APOLB
SCHEMBL3861581 0.69 LTA4H (0.45) THRBIDO1PTGS1LMNAJAK2

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
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO disclosed