SCHEMBL9852820

SCHEMBL9852820

CCOc1cnc(OC(=O)O)nc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
PARP10 Q53GL7 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
PLA2G4B P0C869 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NQO1 P15559 1/20 0.38
NPC1 O15118 1/20 0.37
PLK1 P53350 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
P4HTM Q9NXG6 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL186125 0.85 KMT2A (0.40) KMT2ALMNAMAPTPARP10CCNC
SCHEMBL9852805 0.83 PARP10 (0.46) KMT2ALMNAPARP10CCNCCDK8
SCHEMBL7020112 0.81 ALDH1A1 (0.33) P4HTMALDH1A1
SCHEMBL3819124 0.77 NQO1 (0.50) KMT2AMAPTPARP10NQO1NPC1
SCHEMBL9852815 0.76 MAPT (0.46) KMT2ALMNAMAPTPARP10PLA2G4B
SCHEMBL9852804 0.75 KDM4E (0.36) KMT2ALMNAMAPTMEN1TDP1
SCHEMBL8785759 0.74 KDM4E (0.43) KMT2ALMNAMAPTCCNCCDK8
SCHEMBL7166940 0.74 NQO1 (0.61) KMT2ALMNAPARP10PLA2G4BNPSR1
SCHEMBL9840341 0.73 ALDH1A1 (0.53) KMT2ALMNAMAPTNPC1PLK1
SCHEMBL185429 0.72 ALDH1A1 (0.40) KMT2ALMNANPSR1NPC1CYP1A2

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
EP-0444286-A1 Sulphonylated pyrimidine carboxylic acid amides BAYER AG (DE) 1991-09-04 EP disclosed