SCHEMBL7713727

SCHEMBL7713727

O=C(O)CC(CN1CCOCC1)C(=O)c1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LMNA P02545 5/20 0.44
MAPT P10636 4/20 0.44
HTT P42858 2/20 0.44
ATM Q13315 2/20 0.44
RAB9A P51151 1/20 0.44
HIF1A Q16665 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 3/20 0.35
HSP90AA1 P07900 1/20 0.35
NTSR1 P30989 1/20 0.35
MITF O75030 1/20 0.35
MAPK1 P28482 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 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
SCHEMBL7718638 0.89 PRMT5 (0.36) ALDH1A1LMNAMAPTHTTATM
SCHEMBL7718645 0.88 ALDH1A1 (0.37) ALDH1A1LMNAMAPTHTTATM
SCHEMBL7713764 0.74 MAPT (0.77) ALDH1A1LMNAMAPTHTTATM
SCHEMBL21809365 0.73 SMN1; SMN2 (0.50) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL12541627 0.72 ALDH1A1 (0.56) ALDH1A1LMNAMAPTHTTATM
Hydrochloric Acid SCHEMBL29595529 0.70 ALDH1A1 (0.62) ALDH1A1LMNAMAPTHTTATM
SCHEMBL12635066 0.70 ALDH1A1 (0.53) ALDH1A1LMNAMAPTHTTATM
SCHEMBL11604652 0.65 ALDH1A1 (0.63) ALDH1A1LMNAMAPTHTTATM
SCHEMBL9198947 0.65 MAPT (0.75) ALDH1A1LMNAMAPTHTTATM
SCHEMBL6278621 0.64 SMN1; SMN2 (0.58) ALDH1A1LMNAHTTRAB9ASMN1; SMN2

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-6384063-B1 Compound having effect of promoting neuron differentiation NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2002-05-07 US disclosed
EP-0999204-A1 NOVEL COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-10 EP disclosed