SCHEMBL5984224

SCHEMBL5984224

COc1ccnc(C[S+]([O-])n2cnc3ccccc32)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ IDO1 P14902 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ HCRTR1 O43613 1/20 0.35
▸ FGFR1 P11362 1/20 0.34
▸ GAK O14976 1/20 0.34
▸ RIPK2 O43353 1/20 0.34
▸ COQ8A Q8NI60 1/20 0.34
▸ NLK Q9UBE8 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL8440142 0.83 PKM (0.33) RAB9ANPC1MAPTSMN1; SMN2IDO1
SCHEMBL5448791 0.80 MAPT (0.40) RAB9ANPC1MAPTSMN1; SMN2HTT
SCHEMBL5943999 0.78 MAPT (0.45) RAB9ANPC1MAPTSMN1; SMN2HTT
SCHEMBL5988718 0.78 AGXT (0.42) RAB9ANPC1MAPTSMN1; SMN2HTT
SCHEMBL30065339 0.78 AGXT (0.42) RAB9ANPC1MAPTSMN1; SMN2HTT
SCHEMBL9264444 0.77 TGFBR1 (0.37) NPC1MAPTSMN1; SMN2HTTCSF1R
SCHEMBL3665713 0.77 MAPT (0.52) RAB9ANPC1MAPTSMN1; SMN2HTT
SCHEMBL13138466 0.76 RAB9A (0.46) RAB9ANPC1MAPTSMN1; SMN2HTT
SCHEMBL28087593 0.75 RAB9A (0.42) RAB9ANPC1MAPTSMN1; SMN2IDO1
SCHEMBL24572635 0.73 RAB9A (0.38) RAB9AMAPTSMN1; SMN2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615624-A2 ORAL PHARMACEUTICAL PREPARATION COMPRISING A PROTON PUMP ANTAGONIST AND A BASIC EXCIPIENT ALTANA Pharma AG (DE) 2006-01-18 — — EP disclosed
WO-2004089342-A2 ORAL PHARMACEUTICAL PREPARATION COMPRISING A PROTON PUMP ANTAGONIST AND A BASIC EXIPIENT ALTANA PHARMA AG (DE) 2004-10-21 — — WO disclosed
US-5948789-A ASYMMETRIC OXIDATION OF A PRO-CHIRAL SULPHIDE TO THE SINGLE ENANTIOMERS OR AN ENANTIOMERICALLY ENRICHED FORM OF THE CORRESPONDING SULPHOXIDE. OPTICALLY PURE SUBSTITUTED 2-(2-PYRIDINYLMETHYL-SULPHINYL)-1H-BENZIMIDAZOLES. ASTRA AKTIEBOLAG (SE) 1999-09-07 — — US disclosed
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