SCHEMBL6829032

SCHEMBL6829032

Nc1ccc(OC(=O)NCCn2cccn2)nc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 4/20 0.39
THRB P10828 2/20 0.39
NAMPT P43490 3/20 0.39
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL6831063 0.83 RAB9A (0.45) KMT2ARAB9ALMNATHRBNAMPT
SCHEMBL6920000 0.82 MGLL (0.41) KMT2ARAB9ALMNATHRBNAMPT
SCHEMBL6644390 0.76 IDO1 (0.47) KMT2ARAB9ALMNATHRBIDO1
SCHEMBL6829031 0.72 THRB (0.41) KMT2ALMNATHRBIDO1ALDH1A1
SCHEMBL6925229 0.72 HTR2C (0.39) RAB9ALMNATHRBNAMPTIDO1
SCHEMBL6923840 0.70 MGLL (0.59) KMT2ARAB9ATHRB
SCHEMBL15189983 0.70 NPC1 (0.46) KMT2ARAB9ALMNAKDM4EMEN1
SCHEMBL15190034 0.69 NAMPT (0.50) RAB9ALMNANAMPTKDM4EALDH1A1
SCHEMBL15189988 0.69 RAB9A (0.46) KMT2ARAB9ALMNATHRBKDM4E
SCHEMBL28230841 0.68 TDP1 (0.43) KMT2ALMNATHRBNAMPTMEN1

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