SCHEMBL8919447

SCHEMBL8919447

CC(=O)c1cnc2c(c1)oc(=O)n2CCc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL8918738 0.85 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2MAPTSIGMAR1
SCHEMBL8918636 0.83 HSD17B10 (0.43) KMOKDM4EALDH1A1HSD17B10LMNA
SCHEMBL8918012 0.78 MIF (0.47) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL8917032 0.76 CYP1A2 (0.36) KMOALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL8624599 0.73 ADORA2B (0.35) KMOKDM4EALDH1A1SIGMAR1
SCHEMBL8626905 0.73 ALDH1A1 (0.43) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL8626022 0.66 ALDH1A1 (0.63) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL8625029 0.65 NPC1 (0.48) KDM4EALDH1A1HSD17B10MAPTNPC1
SCHEMBL11343195 0.64 MIF (0.60) ALDH1A1SMN1; SMN2LMNATSHRRAB9A
SCHEMBL8919804 0.64 LMNA (0.42) KDM4EALDH1A1HSD17B10SMN1; SMN2LMNA

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-5618819-A ANALGESICS ADIR ET COMPAGNIE (FR) 1997-04-08 US disclosed
EP-0691339-A1 Amine derivatives of 1,3-dihydro-2H-pyrrolo(2,3-b)pyridin-2-ones and oxazolo(4,5-b)pyridin-2(3H)-ones, their process of preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-01-10 EP disclosed