SCHEMBL6288074

SCHEMBL6288074

[c]1ccc(C(CN2CCOCC2)c2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ ACHE P22303 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ ATM Q13315 2/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ NTSR1 P30989 1/20 0.45
▸ MITF O75030 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HIF1A Q16665 1/20 0.44

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
SCHEMBL6262165 0.85 ALDH1A1 (0.46) POLBMEN1KMT2AALDH1A1ATM
SCHEMBL7440573 0.77 ALDH1A1 (0.56) POLBMEN1KMT2AACHEALDH1A1
SCHEMBL1460360 0.75 KDM4E (0.71) POLBMEN1KMT2AATMHSD17B10
SCHEMBL17835877 0.75 KDM4E (0.71) POLBMEN1KMT2AATMHSD17B10
SCHEMBL5510459 0.75 ALDH1A1 (0.68) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL23610052 0.75 KDM4E (0.71) POLBMEN1KMT2AATMHSD17B10
SCHEMBL16572388 0.75 ALDH1A1 (0.68) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL4631795 0.75 POLB (0.54) POLBMEN1KMT2AACHEALDH1A1
SCHEMBL2554004 0.75 POLB (0.54) POLBMEN1KMT2AACHEALDH1A1
Hydrochloric Acid SCHEMBL4163457 0.73 POLB (0.52) POLBMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 — — EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 — — WO disclosed
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