SCHEMBL8729771

SCHEMBL8729771

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.45
ATM Q13315 1/20 0.45
MAPT P10636 6/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
LDHA P00338 1/20 0.41
NQO2 P16083 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAP4K4 O95819 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL12529639 0.91 ALDH1A1 (0.43) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL8728777 0.79 PTGS1 (0.44) CDC25BATMMAPTRAB9ANPC1
SCHEMBL4879887 0.78 COMT (0.49) MAPTRAB9ANPC1SMN1; SMN2LDHA
SCHEMBL28963850 0.77 CYP1A2 (0.51) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL8729772 0.77 MAPT (0.40) CDC25BATMMAPTRAB9ANPC1
SCHEMBL10090804 0.77 RAB9A (0.57) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL8729572 0.76 CDC25B (0.51) CDC25BATMMAPTRAB9ANPC1
SCHEMBL2225245 0.74 HPGDS (0.50) MAPTRAB9ANPC1LDHAKMT2A
SCHEMBL8461460 0.73 CYP2C9 (0.55) CDC25BATMMAPTRAB9ASMN1; SMN2
SCHEMBL23551064 0.70 GPR84 (0.54) ATMMAPTRAB9ANPC1SMN1; 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 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