SCHEMBL10716730

SCHEMBL10716730

N#CC(C#N)=CNc1ccc(C(N)=O)cn1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ DPP4 P27487 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HCAR3 P49019 1/20 0.39
▸ GRM5 P41594 1/20 0.39

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
SCHEMBL978777 0.79 NNMT (0.64) NNMTSMN1; SMN2EPHX2KDM4EL3MBTL1
SCHEMBL10716507 0.78 GRM5 (0.54) MAPTHCAR3GRM5
Hydrochloric Acid SCHEMBL8074661 0.78 NNMT (0.62) NNMTSMN1; SMN2EPHX2KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL8379439 0.78 NNMT (0.62) NNMTSMN1; SMN2EPHX2KDM4EL3MBTL1
SCHEMBL10869100 0.74 ALDH1A1 (0.51) SMN1; SMN2KDM4EL3MBTL1NPC1MAPT
SCHEMBL383413 0.73 NNMT (0.70) NNMTSMN1; SMN2EPHX2KDM4EL3MBTL1
SCHEMBL18715409 0.73 NNMT (0.70) NNMTSMN1; SMN2EPHX2KDM4EL3MBTL1
SCHEMBL10716578 0.72 PKM (0.49) NNMTMAPTHCAR3GRM5
SCHEMBL4320704 0.72 NNMT (1.00) NNMTSMN1; SMN2EPHX2KDM4EL3MBTL1
Hydrazine SCHEMBL628678 0.72 NNMT (0.68) NNMTSMN1; SMN2EPHX2KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4659727-A ANTIARTHRITIC AGENTS MAY & BAKER LIMITED (GB) 1987-04-21 — — US disclosed
EP-0174832-A2 Ethene derivatives MAY & BAKER LIMITED (GB) 1986-03-19 — — EP disclosed
Send feedback