SCHEMBL8729772

SCHEMBL8729772

Cn1c(OC=O)cnc1C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PDE10A Q9Y233 2/20 0.38
CDC25B P30305 1/20 0.37
ATM Q13315 1/20 0.37
POLB P06746 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL8729574 0.77 HDAC10 (0.41) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL8729771 0.77 CDC25B (0.45) MAPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL8461462 0.76 ATM (0.44) MAPTRAB9ASMN1; SMN2HPGDNPSR1
SCHEMBL8728777 0.74 PTGS1 (0.44) MAPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL28963850 0.72 CYP1A2 (0.51) MAPTRAB9ANPC1SMN1; SMN2NPSR1
Formic Acid Methyl Ester SCHEMBL28160973 0.68 MAPT (0.58) MAPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL12529639 0.67 ALDH1A1 (0.43) MAPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL10090804 0.66 RAB9A (0.57) MAPTRAB9ANPC1SMN1; SMN2NPSR1
SCHEMBL232724 0.64 RAB9A (0.74) MAPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL4036067 0.64 ALDH1A1 (0.40) MAPTRAB9ANPC1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783488-A4 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO (JP) 1998-01-07 EP claimed
EP-0783488-A1 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 1997-07-16 EP claimed
WO-1996010013-A1 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 1996-04-04 WO claimed