SCHEMBL8640744

SCHEMBL8640744

CCCCSc1ccccn1.O=C1NC(=O)C(=Cc2ccsc2)S1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 8/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PPARG P37231 1/20 0.44
▸ PIM1 P11309 4/20 0.43
▸ PIM2 Q9P1W9 4/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ IGF1R P08069 1/20 0.42
▸ CISD1 Q9NZ45 3/20 0.41
▸ MAOA P21397 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NPC1 O15118 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
SCHEMBL8640740 0.89 ALDH1A1 (0.45) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8614425 0.87 PIM1 (0.53) HPGDPPARGPIM1PIM2PIM3
SCHEMBL8616364 0.85 PIM1 (0.57) HPGDPPARGPIM1PIM2CISD1
SCHEMBL8618308 0.85 MTOR (0.47) HPGDPPARGPIM1PIM2PIM3
SCHEMBL8617896 0.85 GSK3B (0.61) HPGDMAPTTDP1L3MBTL1PPARG
SCHEMBL8617338 0.83 GSK3B (0.57) HPGDLMNAMAPTTDP1PPARG
SCHEMBL8619012 0.83 PTGS2 (0.60) HPGDPPARGPIM1PIM2PIM3
SCHEMBL8620558 0.79 CRHBP (0.60) PIM1PIM2CISD1MAOAGSK3B
SCHEMBL8614423 0.77 CSNK2A2 (0.40) HPGDALDH1A1LMNAMAPTPPARG
SCHEMBL8616362 0.75 CLK1 (0.58) HPGDKDM4EALDH1A1LMNAMAPT

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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