SCHEMBL31480792

SCHEMBL31480792

COCc1ccc(C(N)=O)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.50
GABRA5 P31644 2/20 0.46
PARP10 Q53GL7 4/20 0.45
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
MAPK1 P28482 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
PARP4 Q9UKK3 1/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
SARM1 Q6SZW1 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
SIRT1 Q96EB6 1/20 0.42

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
SCHEMBL14480242 0.86 L3MBTL1 (0.43) NNMTSMN1; SMN2MAPK1L3MBTL1
SCHEMBL31003231 0.86 L3MBTL1 (0.43) NNMTSMN1; SMN2MAPK1L3MBTL1
SCHEMBL2935799 0.84 NNMT (0.52) NNMTSMN1; SMN2GABRA5PARP10KDM4E
SCHEMBL1680993 0.84 MAPT (0.53) GABRA5MAPK1KDM4EL3MBTL1
SCHEMBL1439028 0.83 MAPK1 (0.59) GABRA5MAPK1CA1CA2KDM4E
SCHEMBL2818852 0.83 MAPT (0.51) GABRA5MAPK1KDM4EL3MBTL1
SCHEMBL2818858 0.81 CA1 (0.44) NNMTMAPK1CA1CA2KDM4E
SCHEMBL5293898 0.80 NNMT (0.55) NNMTSMN1; SMN2PARP10MKNK1MKNK2
SCHEMBL18397185 0.80 GSK3B (0.49) NNMTMAPK1HPGDS
SCHEMBL3949487 0.80 KMT2A (0.43) SMN1; SMN2MAPK1KDM4E

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
WO-2025063272-A1 NICOTINAMIDE DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL PLANT DISEASE CONTROL AGENT クミアイ化学工業株式会社 2025-03-27 WO disclosed