SCHEMBL29960960

SCHEMBL29960960

CCOc1ccc([13C](N)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 9/20 1.00
PRSS1 P07477 1/20 0.66
PRSS2 P07478 1/20 0.66
PRSS3 P35030 1/20 0.66
NPC1 O15118 1/20 0.61
PLK1 P53350 1/20 0.61
PARP4 Q9UKK3 2/20 0.61
PARP2 Q9UGN5 2/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
PARP1 P09874 1/20 0.61
POLB P06746 1/20 0.60
ALDH1A1 P00352 3/20 0.59
KMT2A Q03164 2/20 0.59
PARP15 Q460N3 2/20 0.59
PARP14 Q460N5 1/20 0.59
PARP16 Q8N5Y8 1/20 0.59
PARP11 Q9NR21 1/20 0.59
NQO1 P15559 1/20 0.58
PLA2G4B P0C869 1/20 0.58

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
SCHEMBL1086282 1.00 PARP10 (1.00) PARP10PRSS1PRSS2PRSS3NPC1
Hydrochloric Acid SCHEMBL4381217 0.98 PARP10 (0.96) PARP10PRSS1PRSS2PRSS3NPC1
Hydrochloric Acid SCHEMBL5494037 0.98 PARP10 (0.96) PARP10PRSS1PRSS2PRSS3NPC1
Benzamide SCHEMBL5531824 0.93 PARP10 (0.86) PARP10PRSS1PRSS2PRSS3NPC1
SCHEMBL606438 0.84 PARP10 (0.72) PARP10PLK1PARP4PARP2CA1
SCHEMBL1086686 0.84 PARP10 (0.72) PARP10NPC1PLA2G4B
SCHEMBL3017507 0.83 PARP10 (0.71) PARP10PRSS1PARP4PARP2CA1
SCHEMBL7439846 0.83 PARP10 (0.71) PARP10PRSS1PRSS2PRSS3NPC1
SCHEMBL1367365 0.83 PARP10 (0.70) PARP10PRSS1PRSS2PRSS3NPC1
SCHEMBL845348 0.83 NPSR1 (0.79) PARP10PRSS1PRSS2PRSS3NPC1

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
CN-113527021-B Preparation method of formamide compound 大连理工大学 2022-11-18 CN disclosed