SCHEMBL29089331

SCHEMBL29089331

Cc1ccnc(C)c1C(N)=O.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.44
PIM1 P11309 5/20 0.44
SIRT3 Q9NTG7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LIMK1 P53667 1/20 0.42
ACVR1 Q04771 2/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
POLB P06746 3/20 0.39
NOS3 P29474 2/20 0.38
NOS2 P35228 2/20 0.38
P2RX7 Q99572 1/20 0.37
SLC6A9 P48067 1/20 0.36
CCR5 P51681 2/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
PKMYT1 Q99640 1/20 0.35
CCR1 P32246 1/20 0.34
CCR8 P51685 1/20 0.34

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
SCHEMBL31606794 0.98 SIRT3 (0.46) NTRK1PIM1SIRT3TDP1LIMK1
SCHEMBL161321 0.98 SIRT3 (0.46) NTRK1PIM1SIRT3TDP1LIMK1
Ammonia Solution, Strong SCHEMBL27581013 0.96 NTRK1 (0.44) NTRK1PIM1SIRT3TDP1LIMK1
Hydrochloric Acid SCHEMBL5012204 0.96 NTRK1 (0.44) NTRK1PIM1SIRT3TDP1LIMK1
Hydrochloric Acid SCHEMBL5012214 0.96 NTRK1 (0.44) NTRK1PIM1SIRT3TDP1LIMK1
Iodide SCHEMBL27448063 0.96 NTRK1 (0.44) NTRK1PIM1SIRT3TDP1LIMK1
Hydrogen Peroxide SCHEMBL28248198 0.96 NTRK1 (0.48) NTRK1PIM1SIRT3TDP1LIMK1
Oxalic Acid SCHEMBL27449949 0.92 NTRK1 (0.46) NTRK1PIM1SIRT3TDP1LIMK1
Methylene Chloride SCHEMBL27467249 0.91 NTRK1 (0.43) NTRK1PIM1SIRT3TDP1LIMK1
Cadaverine Tartrate SCHEMBL27450859 0.86 NTRK1 (0.42) NTRK1PIM1SIRT3TDP1LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116903528-A Synthesis method of 2-sulfamoyl-N, N-dimethyl nicotinamide 浙江禾本科技股份有限公司 2023-10-20 CN claimed
CN-116903528-A Synthesis method of 2-sulfamoyl-N, N-dimethyl nicotinamide 浙江禾本科技股份有限公司 2023-10-20 CN disclosed
CN-116903528-A Synthesis method of 2-sulfamoyl-N, N-dimethyl nicotinamide 浙江禾本科技股份有限公司 2023-10-20 CN disclosed