SCHEMBL28575721

SCHEMBL28575721

Cc1ccc2c(c1)nnn2/C(C(=O)O)=C(/N)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 4/20 0.54
▸ GAA P10253 9/20 0.50
▸ MGAM O43451 8/20 0.50
▸ AMY1A P0DUB6 8/20 0.50
▸ SI P14410 8/20 0.50
▸ MGAM2 Q2M2H8 8/20 0.50
▸ F2 P00734 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SLC9A1 P19634 1/20 0.45
▸ NAMPT P43490 1/20 0.41
▸ F12 P00748 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HCAR3 P49019 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL28581480 0.90 MGAM (0.50) KCNMA1GAAMGAMAMY1ASI
SCHEMBL29502834 0.90 MGAM (0.50) KCNMA1GAAMGAMAMY1ASI
SCHEMBL29502828 0.88 KCNMA1 (0.50) KCNMA1GAAMGAMAMY1ASI
SCHEMBL28915566 0.86 GAA (0.52) GAAMGAMAMY1ASIMGAM2
SCHEMBL28594361 0.84 GAA (0.63) KCNMA1GAAMGAMAMY1ASI
SCHEMBL24019555 0.78 KCNMA1 (0.59) KCNMA1GAAMGAMAMY1ASI
SCHEMBL4054573 0.76 KCNMA1 (0.61) KCNMA1GAAMGAMAMY1ASI
SCHEMBL28579185 0.76 GAA (0.63) KCNMA1GAAMGAMAMY1ASI
SCHEMBL29502831 0.76 GAA (0.63) KCNMA1GAAMGAMAMY1ASI
SCHEMBL29728235 0.76 KCNMA1 (0.54) KCNMA1GAAMGAMAMY1ASI

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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