SCHEMBL9852789

SCHEMBL9852789

COc1cnc(OC(N)=O)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.39
PARP1 P09874 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PARP4 Q9UKK3 1/20 0.39
ALDH1A1 P00352 1/20 0.39
F2 P00734 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
HPGDS O60760 1/20 0.38
NNMT P40261 2/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LTA4H P09960 1/20 0.36
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
MAP4K4 O95819 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL6628270 0.86 PARP10 (0.53) PARP10PARP1CA1CA2PARP2
SCHEMBL15881098 0.84 KMT2A (0.41) PARP10PARP1CA1CA2PARP2
SCHEMBL21409951 0.82 PLAU (0.44) SIRT6NNMTMKNK1MKNK2MAP4K4
SCHEMBL9852805 0.81 PARP10 (0.46) PARP10ALDH1A1HPGDKMT2AMEN1
SCHEMBL28960220 0.77 MEN1 (0.35) SIRT6NNMTKMT2AMEN1
SCHEMBL19066140 0.75 KDM4E (0.36) ALDH1A1NNMTKMT2AMEN1KDM4E
SCHEMBL29178970 0.75 MEN1 (0.34) NNMTKMT2AMEN1
SCHEMBL14820284 0.75 PARP1 (0.47) PARP10PARP1CA1CA2PARP2
SCHEMBL3825167 0.73 FTO (0.42) CA1CA2ALDH1A1KMT2AMEN1
SCHEMBL22250702 0.72 NNMT (0.59) ALDH1A1SIRT6NNMTKMT2AMEN1

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