SCHEMBL9806503

SCHEMBL9806503

CCOC(=O)N(O)Cc1cccc(Nc2ccccc2C(=O)OC)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 6/20 0.47
CDC25A P30304 1/20 0.47
CDC25C P30307 1/20 0.47
METTL3 Q86U44 1/20 0.47
PTGS2 P35354 1/20 0.46
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.41
GPR35 Q9HC97 1/20 0.41
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40

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
SCHEMBL9806506 0.90 CLCN2 (0.50) CDC25BCDC25ACDC25CMETTL3PTGS2
SCHEMBL9806488 0.89 CDC25B (0.49) CDC25BCDC25ACDC25CMETTL3PTGS2
SCHEMBL9806505 0.88 PTGS2 (0.48) CDC25BCDC25ACDC25CMETTL3PTGS2
SCHEMBL9806546 0.86 PTGS2 (0.60) METTL3PTGS2MAPTKMT2ALMNA
SCHEMBL9806498 0.84 PTGS2 (0.46) CDC25BCDC25ACDC25CMETTL3PTGS2
SCHEMBL9806483 0.79 MEN1 (0.53) CDC25BCDC25ACDC25CPTGS2KDM4E
SCHEMBL9806492 0.79 MAPT (0.54) CDC25BCDC25ACDC25CMETTL3PTGS2
SCHEMBL9806509 0.77 MAPT (0.49) CDC25BCDC25ACDC25CPTGS2KDM4E
SCHEMBL9806544 0.77 CLCN2 (0.68) METTL3PTGS2KMT2A
SCHEMBL9806587 0.77 MAPT (0.51) CDC25BCDC25ACDC25CMETTL3PTGS2

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-5017604-A Antiinflammatory WARNER-LAMBERT COMPANY (US) 1991-05-21 US claimed
US-5017604-A Antiinflammatory WARNER-LAMBERT COMPANY (US) 1991-05-21 US disclosed