SCHEMBL9753967

SCHEMBL9753967

O=C(O)Cc1cccc2nc(O)c(C(=O)O)n12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
AKR1B1 P15121 3/20 0.33
KDM4E B2RXH2 6/20 0.32
ALDH1A1 P00352 3/20 0.32
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 2/20 0.32
ALOX15 P16050 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL8605173 0.71 P4HTM (0.36) PTGS1PTGS2TDP1AKR1B1KDM4E
Methyl Alcohol SCHEMBL9753918 0.69 TBXAS1 (0.36) PTGS1PTGS2TDP1AKR1B1KDM4E
SCHEMBL8609867 0.68 PTGS1 (0.47) PTGS1PTGS2TDP1KDM4EALDH1A1
Methyl Alcohol SCHEMBL9753894 0.66 PTGS1 (0.45) PTGS1PTGS2TDP1KDM4EALDH1A1
SCHEMBL8606787 0.65 GGPS1 (0.35) PTGS1PTGS2TDP1AKR1B1KDM4E
SCHEMBL8704239 0.65 HDAC6 (0.37) KDM4EALDH1A1POLBL3MBTL1MEN1
SCHEMBL9753964 0.64 PTGS1 (0.34) PTGS1PTGS2TDP1KDM4EALDH1A1
SCHEMBL3775955 0.64 CDK8 (0.47) PTGS1PTGS2TDP1CTDSP1AKR1B1
Methyl Alcohol SCHEMBL9753272 0.63 KDM4E (0.35) PTGS1PTGS2TDP1AKR1B1KDM4E
Hydrochloric Acid SCHEMBL19510410 0.62 CDK8 (0.46) PTGS1PTGS2TDP1CTDSP1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO claimed