SCHEMBL7829028

SCHEMBL7829028

CCOC(=O)CCCCCc1nc2ccccc2n1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
POLB P06746 1/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 2/20 0.54
TP53 P04637 1/20 0.54
PTGDR2 Q9Y5Y4 4/20 0.53
FAAH O00519 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
NTRK1 P04629 2/20 0.50
NTRK2 Q16620 2/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
TOP2A P11388 1/20 0.46
APEX1 P27695 1/20 0.46

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
SCHEMBL3062222 0.91 MEN1 (0.64) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL541010 0.87 POLB (0.57) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL7833275 0.84 APEX1 (0.57) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL11431402 0.83 POLB (0.52) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL540967 0.83 APEX1 (0.58) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL15081856 0.81 MAPK1 (0.54) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL15064152 0.81 MAPK1 (0.54) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL15081854 0.81 MAPK1 (0.54) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL12575336 0.80 CETP (0.53) POLBMAPTNTRK1NTRK2LMNA
SCHEMBL11020420 0.80 CETP (0.53) POLBMAPTNTRK1NTRK2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737671-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
US-5804601-A USEFUL FOR TREATING ALZHEIMER'S DISEASE, MULTIPLE SCLEROSIS, BACTERIAL OR VIRAL MENINGITIS, DOWN'S SYNDROME AND PARKINSON'S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-08 US disclosed
EP-0737671-A2 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-10-16 EP disclosed