SCHEMBL7813053

SCHEMBL7813053

O=C(O)c1ccc(NCn2nnc3ccccc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.70
▸ RAB9A P51151 10/20 0.56
▸ MGAM O43451 5/20 0.56
▸ AMY1A P0DUB6 5/20 0.56
▸ GAA P10253 5/20 0.56
▸ SI P14410 5/20 0.56
▸ MGAM2 Q2M2H8 5/20 0.56
▸ EGLN3 Q9H6Z9 1/20 0.54
▸ NPC1 O15118 7/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ HTT P42858 1/20 0.53
▸ HCAR3 P49019 1/20 0.51
▸ APAF1 O14727 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ TDP2 O95551 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50

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
SCHEMBL9618157 0.87 RPS6KA3 (0.84) RPS6KA3RAB9AEGLN3NPC1MAPT
SCHEMBL2494163 0.85 RPS6KA3 (0.77) RPS6KA3RAB9AMGAMAMY1AGAA
SCHEMBL22375107 0.82 RPS6KA3 (1.00) RPS6KA3RAB9AMGAMAMY1AGAA
SCHEMBL23824722 0.82 HCAR3 (0.53) RPS6KA3RAB9AMGAMAMY1AGAA
SCHEMBL9091451 0.81 RAB9A (0.50) RPS6KA3RAB9AMGAMAMY1AGAA
SCHEMBL2490946 0.80 RPS6KA3 (0.73) RPS6KA3RAB9AMGAMAMY1AGAA
SCHEMBL3342201 0.80 RPS6KA3 (0.73) RPS6KA3RAB9AMGAMAMY1AGAA
SCHEMBL23066417 0.78 EGLN3 (0.60) RPS6KA3RAB9AMGAMAMY1AGAA
SCHEMBL438390 0.77 MGAM (0.62) RPS6KA3RAB9AMGAMAMY1AGAA
SCHEMBL27890010 0.77 RPS6KA3 (0.64) RPS6KA3MGAMAMY1AGAASI

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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
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