SCHEMBL6320116

SCHEMBL6320116

O=C(c1ccccc1)C(CN1CCOCC1)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.81
LMNA P02545 9/20 0.81
MAPT P10636 6/20 0.81
ALDH1A1 P00352 6/20 0.81
MITF O75030 5/20 0.81
TP53 P04637 4/20 0.81
ATM Q13315 3/20 0.81
MAPK1 P28482 2/20 0.81
NTSR1 P30989 2/20 0.81
HSP90AA1 P07900 1/20 0.81
HTT P42858 4/20 0.75
RAB9A P51151 3/20 0.74
PAX8 Q06710 2/20 0.74
GFER P55789 1/20 0.74
JAK2 O60674 2/20 0.72
MEN1 O00255 1/20 0.70
THRB P10828 1/20 0.70
KMT2A Q03164 1/20 0.70
HIF1A Q16665 2/20 0.66
NPC1 O15118 1/20 0.54

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
SCHEMBL12284224 0.86 SMN1; SMN2 (0.65) SMN1; SMN2LMNAMAPTALDH1A1MITF
SCHEMBL6325548 0.86 SMN1; SMN2 (0.97) SMN1; SMN2LMNAMAPTALDH1A1MITF
SCHEMBL6321267 0.85 SMN1; SMN2 (0.94) SMN1; SMN2LMNAMAPTALDH1A1MITF
SCHEMBL10584214 0.84 ALDH1A1 (0.97) SMN1; SMN2LMNAMAPTALDH1A1MITF
SCHEMBL24733386 0.82 SMN1; SMN2 (0.81) SMN1; SMN2LMNAMAPTALDH1A1MITF
SCHEMBL9198947 0.80 MAPT (0.75) SMN1; SMN2LMNAMAPTALDH1A1MITF
SCHEMBL2551775 0.80 SMN1; SMN2 (0.65) SMN1; SMN2LMNAMAPTALDH1A1MITF
SCHEMBL7713764 0.78 MAPT (0.77) SMN1; SMN2LMNAMAPTALDH1A1MITF
SCHEMBL7719197 0.78 ALDH1A1 (0.71) SMN1; SMN2LMNAMAPTALDH1A1MITF
SCHEMBL28838516 0.77 ALDH1A1 (0.56) SMN1; SMN2LMNAMAPTALDH1A1MITF

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
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed