SCHEMBL5749692

SCHEMBL5749692

CCc1cccc2c[c]cnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 3/20 0.36
▸ GABRB2 P47870 3/20 0.36
▸ TLR8 Q9NR97 1/20 0.34
▸ ELANE P08246 3/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ SCN5A Q14524 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PARP1 P09874 2/20 0.32
▸ DAO P14920 1/20 0.32
▸ ACACA Q13085 1/20 0.32
▸ HTR5A P47898 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL28039186 0.82 L3MBTL1 (0.38) L3MBTL1ALDH1A1MEN1KMT2APARP1
SCHEMBL5747397 0.81 KCNH2 (0.44) TLR8KCNH2
SCHEMBL5749261 0.76 ALDH1A1 (0.35) ELANEL3MBTL1ALDH1A1HTR1AMEN1
SCHEMBL643810 0.73 KDM4E (0.54) L3MBTL1ALDH1A1DAOHTR5ALMNA
SCHEMBL29022899 0.73 BACE1 (0.42) MEN1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL4154277 0.72 NR4A2 (0.39) L3MBTL1ALDH1A1MEN1KMT2APARP1
SCHEMBL16289274 0.72 METAP2 (0.53) ALDH1A1KMT2ALMNAKDM4EGAA
SCHEMBL4158158 0.72 SMN1; SMN2 (0.35) L3MBTL1ALDH1A1MEN1KMT2APARP1
SCHEMBL5750138 0.71 CYP2A6 (0.37) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL16289813 0.71 PARP1 (0.38) L3MBTL1ALDH1A1TAAR1MEN1KMT2A

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-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 — — US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 — — EP disclosed
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