SCHEMBL29502828

SCHEMBL29502828

COC(=O)/C(=C(\N)c1ccccc1)n1nnc2cc(C)ccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 3/20 0.50
▸ MGAM O43451 9/20 0.46
▸ AMY1A P0DUB6 9/20 0.46
▸ GAA P10253 9/20 0.46
▸ SI P14410 9/20 0.46
▸ MGAM2 Q2M2H8 9/20 0.46
▸ F12 P00748 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ F2 P00734 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SLC9A1 P19634 1/20 0.41
▸ MIF P14174 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL28575721 0.88 KCNMA1 (0.54) KCNMA1MGAMAMY1AGAASI
SCHEMBL29502829 0.87 GAA (0.56) KCNMA1MGAMAMY1AGAASI
SCHEMBL28581480 0.79 MGAM (0.50) KCNMA1MGAMAMY1AGAASI
SCHEMBL29502834 0.79 MGAM (0.50) KCNMA1MGAMAMY1AGAASI
SCHEMBL28580426 0.78 MGAM (0.60) MGAMAMY1AGAASIMGAM2
SCHEMBL28589160 0.78 F12 (0.60) MGAMAMY1AGAASIMGAM2
SCHEMBL28588844 0.76 MGAM (0.51) MGAMAMY1AGAASIMGAM2
SCHEMBL28915566 0.75 GAA (0.52) MGAMAMY1AGAASIMGAM2
SCHEMBL11294103 0.74 KCNMA1 (0.57) KCNMA1MGAMAMY1AGAASI
SCHEMBL24019555 0.74 KCNMA1 (0.59) KCNMA1MGAMAMY1AGAASI

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-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
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