SCHEMBL9535828

SCHEMBL9535828

C=C(C(=O)O)n1c(C)cc(=O)[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMP P19971 15/20 0.58
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.33

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
SCHEMBL9253630 0.71 JAK2 (0.33) ALDH1A1
SCHEMBL4889955 0.67 TYMP (0.47) TYMPMEN1KMT2AATMALDH1A1
SCHEMBL6027678 0.66 TYMP (0.46) TYMPMEN1KMT2AATMALDH1A1
SCHEMBL9535823 0.64 TYMP (0.45) TYMPMEN1KMT2AATMALDH1A1
SCHEMBL28380468 0.64 TYMP (1.00) TYMPATM
SCHEMBL20998664 0.63 TYMP (0.43) TYMPATMALDH1A1KDM4EGAA
SCHEMBL3063265 0.63 TYMP (0.44) TYMPMEN1KMT2AALDH1A1
SCHEMBL8768819 0.63 TYMP (0.44) TYMPMEN1KMT2AATMALDH1A1
SCHEMBL10565144 0.62 TYMP (0.40) TYMPATMALDH1A1KDM4EGAA
SCHEMBL15558596 0.61 ALDH1A1 (0.70) TYMPMEN1KMT2AATMALDH1A1

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
EP-0168813-B1 Sparsomycin derivatives MERRELL DOW PHARMA (US) 1993-11-10 EP disclosed
EP-0168813-A1 Sparsomycin derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1986-01-22 EP disclosed