SCHEMBL28772115

SCHEMBL28772115

CC(N)c1ccc(C(N)=O)cn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NNMT P40261 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PARP10 Q53GL7 1/20 0.42
GRM5 P41594 1/20 0.41
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
SARM1 Q6SZW1 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
SIRT4 Q9Y6E7 1/20 0.40
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
HPGDS O60760 1/20 0.40
EPHX2 P34913 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
SCHEMBL31517714 0.87 NNMT (0.55) NNMTSMN1; SMN2KDM4EL3MBTL1PARP10
SCHEMBL531287 0.87 NNMT (0.55) NNMTSMN1; SMN2KDM4EL3MBTL1PARP10
SCHEMBL23396319 0.85 KCNJ1 (0.41) NNMTSMN1; SMN2L3MBTL1MKNK1MKNK2
Hydrochloric Acid SCHEMBL18740156 0.84 GABRP (0.52)
Hydrochloric Acid SCHEMBL20538973 0.84 GABRP (0.52)
SCHEMBL3645881 0.81 MAPK1 (0.57) NNMTKDM4EL3MBTL1
SCHEMBL3645879 0.81 MAPK1 (0.57) NNMTKDM4EL3MBTL1
SCHEMBL13418633 0.81 MAPK1 (0.57) NNMTKDM4EL3MBTL1
SCHEMBL27701499 0.81 NNMT (0.56) NNMTSMN1; SMN2KDM4EL3MBTL1PARP10
Hydrochloric Acid SCHEMBL29893688 0.80 MAPK1 (0.56) NNMTKDM4EL3MBTL1HPGDS

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
CN-101287707-A Kinase inhibitors DEVGEN NV (BE) 2008-10-15 CN claimed