SCHEMBL6251463

SCHEMBL6251463

COCCNC(=O)N1C=CC=NC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 5/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.34
ATM Q13315 1/20 0.34
HPGD P15428 3/20 0.33
GAA P10253 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL6252198 0.86 MEN1 (0.36) ALDH1A1KDM4EKMT2AMAPK1SMN1; SMN2
SCHEMBL10479267 0.78 NAMPT (0.45) SMN1; SMN2NAMPT
SCHEMBL7869092 0.74 TSHR (0.31)
SCHEMBL30393948 0.73 TSHR (0.31)
SCHEMBL18281302 0.71
SCHEMBL6192241 0.68 TSHR (0.33) TDP1ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL6251461 0.68 SMN1; SMN2 (0.40) BCHETDP1ALDH1A1KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL28670350 0.67
SCHEMBL12888705 0.64 TDP1 (0.56) BCHETDP1ALDH1A1KDM4EKMT2A
SCHEMBL665299 0.64 KDM4E (0.44) BCHETDP1ALDH1A1KDM4EKMT2A

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-1243581-B1 Pyridinium compounds useful for the treatment of AGE-related diseases TORRENT PHARMACEUTICALS LTD (IN) 2005-07-13 EP claimed