SCHEMBL25920484

SCHEMBL25920484

CCCNCC(=O)NCC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
PAOX Q6QHF9 1/20 0.39
GAA P10253 1/20 0.38
CTSD P07339 1/20 0.37
MCL1 Q07820 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
DPP4 P27487 1/20 0.34
ANPEP P15144 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
EPHX1 P07099 1/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL2430885 0.85 MAOA (0.52) MAOAMAOBGAAHDAC1HDAC2
SCHEMBL821676 0.84
Hydrochloric Acid SCHEMBL2432767 0.83 MAOA (0.50) MAOAMAOBGAAHDAC1HDAC2
SCHEMBL1380471 0.82 MCL1 (0.50) PAOXGAACTSDMCL1DPP4
Hydrochloric Acid SCHEMBL1238516 0.82
SCHEMBL22018338 0.81 FAAH (0.42) PAOXGAACTSDMCL1DPP4
SCHEMBL1330451 0.81 FAAH (0.42) PAOXGAAMCL1CA1CA2
SCHEMBL24368163 0.80 MAOA (0.48) MAOAMAOBPAOXGAACTSD
SCHEMBL12268125 0.80 FAAH (0.45) PAOXGAACTSDMCL1DPP4
Dimethylamine SCHEMBL6859038 0.80 MAOA (0.48) MAOAMAOBPAOXGAACTSD

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-4218826-A2 ANTIBODY DRUG CONJUGATES COMPRISING STING AGONISTS Mersana Therapeutics, Inc. (US) 2023-08-02 EP disclosed