SCHEMBL28588844

SCHEMBL28588844

COC(=O)C(=C(N)c1ccc2ccccc2c1)n1nnc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 10/20 0.51
▸ AMY1A P0DUB6 10/20 0.51
▸ GAA P10253 10/20 0.51
▸ SI P14410 10/20 0.51
▸ MGAM2 Q2M2H8 10/20 0.51
▸ F12 P00748 6/20 0.51
▸ KMT2A Q03164 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ F2 P00734 1/20 0.43
▸ SLC9A1 P19634 1/20 0.43
▸ MIF P14174 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ MGLL Q99685 1/20 0.43

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
SCHEMBL29502829 0.86 GAA (0.56) MGAMAMY1AGAASIMGAM2
SCHEMBL28580426 0.84 MGAM (0.60) MGAMAMY1AGAASIMGAM2
SCHEMBL28589160 0.84 F12 (0.60) MGAMAMY1AGAASIMGAM2
SCHEMBL31749537 0.81 F12 (0.46) MGAMAMY1AGAASIMGAM2
SCHEMBL31749664 0.81 MGAM (0.45) MGAMAMY1AGAASIMGAM2
SCHEMBL29502828 0.76 KCNMA1 (0.50) MGAMAMY1AGAASIMGAM2
SCHEMBL28583982 0.76 F12 (0.71) MGAMAMY1AGAASIMGAM2
SCHEMBL31749637 0.74 MGAM (0.50) MGAMAMY1AGAASIMGAM2
SCHEMBL29502827 0.73 F12 (0.69) MGAMAMY1AGAASIMGAM2
SCHEMBL31749736 0.72 ELANE (0.48) MGAMAMY1AGAASIMGAM2

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
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