SCHEMBL9138407

SCHEMBL9138407

O=C(O)CN(Cn1nnc2ccccc21)Cn1nnc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN3 Q9H6Z9 1/20 0.61
▸ GAA P10253 7/20 0.56
▸ MGAM O43451 6/20 0.56
▸ AMY1A P0DUB6 6/20 0.56
▸ SI P14410 6/20 0.56
▸ MGAM2 Q2M2H8 6/20 0.56
▸ RAB9A P51151 6/20 0.56
▸ APAF1 O14727 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ SLC9A1 P19634 3/20 0.51
▸ GRM2 Q14416 2/20 0.51
▸ NPC1 O15118 4/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48

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
SCHEMBL20713929 0.84 SLC9A1 (0.56) EGLN3GAAMGAMAMY1ASI
SCHEMBL31483490 0.84 SLC9A1 (0.63) EGLN3GAAMGAMAMY1ASI
SCHEMBL31483489 0.82 SLC9A1 (0.61) EGLN3GAAMGAMAMY1ASI
SCHEMBL17966325 0.80 EGLN3 (0.59) EGLN3GAAMGAMAMY1ASI
SCHEMBL29625506 0.79 GAA (0.73) EGLN3GAAMGAMAMY1ASI
SCHEMBL361654 0.79 GAA (0.73) EGLN3GAAMGAMAMY1ASI
SCHEMBL30467198 0.78 SLC9A1 (0.63) EGLN3GAAMGAMAMY1ASI
SCHEMBL1675731 0.78 SLC9A1 (0.63) EGLN3GAAMGAMAMY1ASI
SCHEMBL513591 0.78 SLC9A1 (0.53) EGLN3GAAMGAMAMY1ASI
SCHEMBL11536425 0.78 SLC9A1 (0.53) EGLN3GAAMGAMAMY1ASI

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
US-5441563-A Antifoam agents in printing inks ARMSTRONG WORLD INDUSTRIES, INC. (US) 1995-08-15 — — US claimed
US-5441563-A Antifoam agents in printing inks ARMSTRONG WORLD INDUSTRIES, INC. (US) 1995-08-15 — — US disclosed
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