SCHEMBL8618308

SCHEMBL8618308

CCCCSc1ccccn1.O=C1NC(=O)C(=Cc2ccccn2)S1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 1/20 0.47
▸ HPGD P15428 8/20 0.46
▸ PPARG P37231 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ TTR P02766 1/20 0.43
▸ PIM1 P11309 5/20 0.42
▸ PIM2 Q9P1W9 5/20 0.42
▸ IGF1R P08069 2/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ CISD1 Q9NZ45 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
SCHEMBL8614425 0.88 PIM1 (0.53) HPGDPPARGPIM1PIM2IGF1R
SCHEMBL8618302 0.87 NPC1 (0.37) MTORHPGDPPARGKMT2A
SCHEMBL8616364 0.86 PIM1 (0.57) HPGDPPARGPIM1PIM2MAOA
SCHEMBL8617338 0.86 GSK3B (0.57) MTORHPGDPPARGPIK3CAPIK3CG
SCHEMBL8617896 0.85 GSK3B (0.61) MTORHPGDPPARGPIM1PIM2
SCHEMBL8640744 0.85 HPGD (0.47) HPGDPPARGPIM1PIM2IGF1R
SCHEMBL1247438 0.81 MTOR (0.64) MTORHPGDPIK3CAPIK3CGTTR
SCHEMBL1247436 0.81 MTOR (0.64) MTORHPGDPIK3CAPIK3CGTTR
SCHEMBL8619012 0.81 PTGS2 (0.60) HPGDPPARGPIM1PIM2IGF1R
SCHEMBL8620558 0.79 CRHBP (0.60) MTORPIK3CAPIK3CGPIM1PIM2

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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