SCHEMBL27417927

SCHEMBL27417927

NCC(=O)OCn1nnc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.54
▸ EGLN3 Q9H6Z9 1/20 0.54
▸ GAA P10253 9/20 0.52
▸ MGAM O43451 7/20 0.52
▸ AMY1A P0DUB6 7/20 0.52
▸ SI P14410 7/20 0.52
▸ MGAM2 Q2M2H8 7/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ SLC9A1 P19634 3/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ APAF1 O14727 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ NPC1 O15118 2/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ GRM2 Q14416 1/20 0.47

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
SCHEMBL13604166 0.83 SLC9A1 (0.56) TP53EGLN3GAAMGAMAMY1A
SCHEMBL13604165 0.81 MGAM (0.62) TP53EGLN3GAAMGAMAMY1A
SCHEMBL15479156 0.79 SLC9A1 (0.55) TP53EGLN3GAAMGAMAMY1A
SCHEMBL14336224 0.78 SLC9A1 (0.50) TP53EGLN3GAAMGAMAMY1A
SCHEMBL5017651 0.77 SLC9A1 (0.59) EGLN3GAAMGAMAMY1ASI
SCHEMBL12001037 0.77 SLC9A1 (0.59) TP53EGLN3GAAMGAMAMY1A
SCHEMBL2490943 0.75 TP53 (0.67) TP53GAAMGAMAMY1ASI
SCHEMBL251561 0.75 SLC9A1 (0.66) EGLN3GAAMGAMAMY1ASI
SCHEMBL29937880 0.74 GAA (0.67) TP53EGLN3GAAMGAMAMY1A
SCHEMBL2070662 0.74 GAA (0.67) TP53EGLN3GAAMGAMAMY1A

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-1118797-A Embossing inhibitor ARMSTRONG WORLD IND INC (US) 1996-03-20 — — CN claimed
CN-1118797-A Embossing inhibitor ARMSTRONG WORLD IND INC (US) 1996-03-20 — — CN disclosed
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