SCHEMBL6251461

SCHEMBL6251461

COCCNC(=O)N1C=NC=CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
BCHE P06276 1/20 0.38
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 5/20 0.34
RAB9A P51151 1/20 0.34
CYP2C19 P33261 1/20 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
SCHEMBL6252530 0.76 TSHR (0.33) TSHR
SCHEMBL6251463 0.68 BCHE (0.38) SMN1; SMN2BCHEALDH1A1TDP1KMT2A
SCHEMBL6252887 0.67 ALDH1A1 (0.34) SMN1; SMN2TSHRALDH1A1RAB9AGAA
SCHEMBL7449669 0.64
SCHEMBL12888705 0.64 TDP1 (0.56) SMN1; SMN2BCHEALDH1A1TDP1KMT2A
SCHEMBL665299 0.64 KDM4E (0.44) BCHEALDH1A1TDP1KMT2AKDM4E
SCHEMBL31686339 0.63 ALDH1A1 (0.58) SMN1; SMN2BCHEALDH1A1TDP1KMT2A
SCHEMBL7724075 0.62 BCHE (0.40) SMN1; SMN2BCHETSHRALDH1A1TDP1
SCHEMBL18713106 0.62 KDM4E (0.65) SMN1; SMN2ALDH1A1TDP1KMT2AKDM4E
SCHEMBL6468831 0.61 GAA (0.55) SMN1; SMN2TSHRALDH1A1TDP1KMT2A

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