SCHEMBL5252893

SCHEMBL5252893

O=C(O)c1nnn(CCSc2ccccc2)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 11/20 0.54
▸ NPC1 O15118 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HPGD P15428 1/20 0.47
▸ KMT2A Q03164 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL5185595 0.80 PTGES (0.60) PTGESSMN1; SMN2KMT2A
SCHEMBL5257722 0.79 SMN1; SMN2 (0.51) NPC1SMN1; SMN2KMT2ARAB9ACASP3
SCHEMBL5255298 0.74 PKM (0.58) NPC1SMN1; SMN2KMT2ARAB9ACASP3
SCHEMBL4143003 0.74 HPGD (0.69) PTGESNPC1SMN1; SMN2HPGDKMT2A
SCHEMBL13872399 0.72 NPC1 (0.62) PTGESNPC1HPGDMAPK1
SCHEMBL5253493 0.71 SMN1; SMN2 (0.45) NPC1SMN1; SMN2KMT2ARAB9ACASP3
SCHEMBL5254786 0.70 SMN1; SMN2 (0.44) NPC1SMN1; SMN2HPGDKMT2ARAB9A
SCHEMBL5187917 0.69 SMN1; SMN2 (0.46) NPC1SMN1; SMN2HPGDKMT2ARAB9A
SCHEMBL21220006 0.68 NPC1 (0.57) PTGESNPC1HPGD
SCHEMBL5257194 0.67 PKM (0.43) NPC1SMN1; SMN2KMT2ARAB9ACASP3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1798231-A2 Intermediate products for the preparation of antibacterial compounds NOVEXEL (FR) 2007-06-20 — — EP disclosed
EP-1399444-B1 NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS NOVEXEL (FR) 2007-04-11 — — EP disclosed
EP-1399444-A2 NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS Aventis Pharma S.A. (FR) 2004-03-24 — — EP disclosed
WO-2002100860-A2 HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-12-19 — — WO disclosed
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