SCHEMBL8729574

SCHEMBL8729574

Cn1c(OC=O)ccc1C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC10 Q969S8 1/20 0.41
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
CDC25B P30305 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CXCL8 P10145 1/20 0.39
AKR1B1 P15121 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
GLO1 Q04760 1/20 0.39
POLB P06746 2/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL8458233 0.83 MAPT (0.46) HDAC10MAPTSMN1; SMN2SCN1ASCN2A
SCHEMBL8729772 0.77 MAPT (0.40) MAPTSMN1; SMN2SCN1ASCN2ASCN3A
SCHEMBL8729572 0.77 CDC25B (0.51) HDAC10MAPTSMN1; SMN2CDC25BATM
SCHEMBL8461462 0.77 ATM (0.44) HDAC10MAPTSMN1; SMN2CDC25BATM
SCHEMBL10939182 0.75 EGFR (0.48) HDAC10MAPTSMN1; SMN2SCN1ASCN2A
SCHEMBL8726552 0.72 HDAC10 (0.64) HDAC10MAPTSMN1; SMN2CDC25BATM
SCHEMBL8726556 0.72 HDAC10 (0.64) HDAC10MAPTSMN1; SMN2CDC25BATM
SCHEMBL8458232 0.71 PTGS1 (0.74) HDAC10MAPTSMN1; SMN2CDC25BATM
Formic Acid Methyl Ester SCHEMBL28160973 0.71 MAPT (0.58) MAPTSMN1; SMN2CDC25BATMLMNA
SCHEMBL8729395 0.69 CXCL8 (0.55) SMN1; SMN2LMNAALDH1A1CXCL8AKR1B1

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