SCHEMBL28580722

SCHEMBL28580722

N/C(=C(\C(=O)O)n1nnc2ccccc21)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.48
▸ MGAM O43451 4/20 0.48
▸ AMY1A P0DUB6 4/20 0.48
▸ SI P14410 4/20 0.48
▸ MGAM2 Q2M2H8 4/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ F2 P00734 2/20 0.48
▸ SLC9A1 P19634 1/20 0.48
▸ FAAH O00519 4/20 0.43
▸ MGLL Q99685 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ DGAT1 O75907 1/20 0.42
▸ KCNMA1 Q12791 1/20 0.42
▸ F12 P00748 3/20 0.41
▸ LMNA P02545 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
SCHEMBL28594361 0.81 GAA (0.63) GAAMGAMAMY1ASIMGAM2
SCHEMBL2490904 0.80 MGAM (0.60) GAAMGAMAMY1ASIMGAM2
SCHEMBL29862197 0.80 MGAM (0.60) GAAMGAMAMY1ASIMGAM2
SCHEMBL28915566 0.76 GAA (0.52) GAAMGAMAMY1ASIMGAM2
SCHEMBL28579185 0.73 GAA (0.63) GAAMGAMAMY1ASIMGAM2
SCHEMBL29502831 0.73 GAA (0.63) GAAMGAMAMY1ASIMGAM2
SCHEMBL28583982 0.71 F12 (0.71) GAAMGAMAMY1ASIMGAM2
SCHEMBL443991 0.71 GAA (0.64) GAAMGAMAMY1ASIMGAM2
SCHEMBL706083 0.71 MGAM (0.68) GAAMGAMAMY1ASIMGAM2
SCHEMBL8693720 0.70 GAA (0.67) GAAMGAMAMY1ASIMGAM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113045508-B Method for synthesizing diaminoalkene by NBS (N-bromosuccinimide) to promote polarity reversal of enaminone 河南科技大学 2022-04-22 — — CN disclosed
CN-113045508-A Method for synthesizing diaminoalkene by NBS (N-bromosuccinimide) to promote polarity reversal of enaminone 河南科技大学 2021-06-29 — — CN disclosed
Send feedback