SCHEMBL30096016

SCHEMBL30096016

CCCCCC[n+]1ccccc1-c1c2nc(c(-c3cccc[n+]3CCCCCC)c3ccc([nH]3)c(-c3cccc[n+]3CCCCCC)c3nc(c(-c4cccc[n+]4CCCCCC)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ SMN1; SMN2 Q16637 6/20 0.45
▸ HTT P42858 6/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ RAD52 P43351 2/20 0.45
▸ RGS12 O14924 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ TERT O14746 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.40
▸ GAA P10253 4/20 0.40
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL452116 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL451943 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL448359 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL449176 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL29935401 0.99 NPC1 (0.44) NPC1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL452379 0.95 TERT (0.46) NPC1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL450264 0.89 TERT (0.48) TERT
SCHEMBL30096018 0.85 TERT (0.41) SMN1; SMN2HTTKDM4ELMNATERT
SCHEMBL16934676 0.85 TERT (0.41) SMN1; SMN2HTTKDM4ELMNATERT
SCHEMBL453031 0.85 TERT (0.52) TERT

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-4308107-A1 MNTBAP AND M(III)N-SUBSTITUTED PYRIDYLPORPHYRINS(MNPS)FOR USE IN REVERSING SEPSIS-INDUCED MICROGLIAL CELLS ALTERATIONS AND/OR FOR TREATING SEPSIS OR SEPSIS-ASSOCIATED ENCEPHALOPATHY INSTITUT PASTEUR (FR) 2024-01-24 — — EP disclosed
WO-2022195100-A1 MNTBAP AND M(III)N-SUBSTITUTED PYRIDYLPORPHYRINS(MNPS)FOR USE IN REVERSING SEPSIS-INDUCED MICROGLIAL CELLS ALTERATIONS AND/OR FOR TREATING SEPSIS OR SEPSIS-ASSOCIATED ENCEPHALOPATHY INSTITUT PASTEUR (FR) 2022-09-22 — — WO disclosed
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