SCHEMBL8918012

SCHEMBL8918012

CC(=O)c1cnc2c(c1)oc(=O)n2Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.47
CD74 P04233 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 3/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PDE1B Q01064 1/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4A O75164 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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 0.88 ALDH1A1 (0.50) MIFMAPTPOLBKDM4EALDH1A1
SCHEMBL8625029 0.86 NPC1 (0.48) MIFCD74NPC1TP53MAPT
SCHEMBL7316292 0.81 NPC1 (0.63) MIFCD74NPC1POLBKDM4E
SCHEMBL8921274 0.78 ALDH1A1 (0.45) MAPTPOLBKDM4EALDH1A1
SCHEMBL8918560 0.78 LMNA (0.38) KDM4EALDH1A1PDE1BTSHRLMNA
SCHEMBL8624599 0.78 ADORA2B (0.35) KDM4EALDH1A1PDE1B
SCHEMBL8917032 0.76 CYP1A2 (0.36) TP53MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL8626905 0.74 ALDH1A1 (0.43) TP53MAPTPOLBKDM4EALDH1A1
SCHEMBL8919271 0.71 ALDH1A1 (0.53) TP53MAPTPOLBKDM4EALDH1A1
SCHEMBL8626022 0.70 ALDH1A1 (0.63) NPC1TP53MAPTPOLBKDM4E

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