SCHEMBL8620079

SCHEMBL8620079

CC(C)(C)c1cc(C=C2SC(=S)NC2=O)cc(C(C)(C)C)c1O.CCCCSc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.61
▸ PTGS1 P23219 2/20 0.48
▸ NAT1 P18440 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PIM1 P11309 2/20 0.42
▸ DYRK1A Q13627 2/20 0.42
▸ DYRK2 Q92630 2/20 0.42
▸ CTRC Q99895 1/20 0.42
▸ PIM3 Q86V86 1/20 0.42
▸ PIM2 Q9P1W9 1/20 0.42
▸ CISD1 Q9NZ45 1/20 0.42
▸ PIK3CG P48736 2/20 0.41
▸ PIK3CD O00329 1/20 0.41

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
SCHEMBL8619012 0.91 PTGS2 (0.60) PTGS2PTGS1NAT1PIM1CTRC
SCHEMBL8619011 0.83 PTGS2 (0.44) PTGS2PTGS1MEN1ALDH1A1GAA
SCHEMBL8620558 0.81 CRHBP (0.60) NAT1MEN1NPC1POLBKMT2A
SCHEMBL8309757 0.78 PTGS2 (1.00) PTGS2PTGS1NAT1MEN1NPC1
SCHEMBL7768284 0.78 PTGS2 (1.00) PTGS2PTGS1NAT1MEN1NPC1
SCHEMBL8618544 0.78 PTGS2 (1.00) PTGS2PTGS1NAT1MEN1NPC1
SCHEMBL8536869 0.76 PTGS2 (0.76) PTGS2PTGS1NAT1MEN1NPC1
SCHEMBL8536872 0.76 PTGS2 (0.76) PTGS2PTGS1NAT1MEN1NPC1
SCHEMBL8614425 0.74 PIM1 (0.53) NAT1NPC1GAAPIM1PIM3
SCHEMBL8640744 0.74 HPGD (0.47) MEN1NPC1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 — — US disclosed
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