SCHEMBL30826948

SCHEMBL30826948

NC(=O)c1ccc(CCCCCCCc2ccc(C(N)=O)cn2)nc1

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
▸ FAAH O00519 3/20 0.42
▸ EPHX2 P34913 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
▸ HPGDS O60760 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40

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
SCHEMBL31747380 0.86 NNMT (0.44) NNMTSMN1; SMN2KDM4EL3MBTL1FAAH
SCHEMBL31747260 0.84 NNMT (0.45) NNMTSMN1; SMN2KDM4EL3MBTL1EPHX2
SCHEMBL20463188 0.84 NNMT (0.45) NNMTSMN1; SMN2KDM4EL3MBTL1FAAH
SCHEMBL29537517 0.84 NNMT (0.52) NNMTSMN1; SMN2KDM4EL3MBTL1EPHX2
SCHEMBL2691837 0.84 NNMT (0.52) NNMTSMN1; SMN2KDM4EL3MBTL1EPHX2
SCHEMBL22120008 0.81 PRMT1 (0.46) —
SCHEMBL5234177 0.81 NNMT (0.57) NNMTSMN1; SMN2KDM4EL3MBTL1EPHX2
SCHEMBL30557594 0.81 NNMT (0.57) NNMTSMN1; SMN2KDM4EL3MBTL1EPHX2
SCHEMBL27779102 0.81 NNMT (0.57) NNMTSMN1; SMN2KDM4EL3MBTL1EPHX2
SCHEMBL2937228 0.81 NNMT (0.57) NNMTSMN1; SMN2KDM4EL3MBTL1EPHX2

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-113766914-B Pentaneamidine analogues and uses thereof 美商奥润沙公司 2024-02-13 — — CN disclosed
Send feedback