SCHEMBL8614423

SCHEMBL8614423

CCCCSc1ccccn1.O=C1NC(=Cc2ccc(Cl)cc2)C(=O)S1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 1/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ DYRK2 Q92630 1/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ MAPT P10636 1/20 0.38
▸ PTK2B Q14289 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ HPGD P15428 5/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ PPARG P37231 1/20 0.36

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 0.89 PIM1 (0.53) NPC1RAB9APIM1PIM2HPGD
SCHEMBL8616362 0.88 CLK1 (0.58) CSNK2A2CLK1CSNK2BCSNK2A1DYRK1A
SCHEMBL8618302 0.87 NPC1 (0.37) CSNK2A2CLK1CSNK2BCSNK2A1DYRK1A
SCHEMBL8640740 0.86 ALDH1A1 (0.45) CSNK2A2CLK1CSNK2BCSNK2A1DYRK1A
SCHEMBL8617892 0.86 GSK3B (0.45) CSNK2A2CLK1CSNK2BCSNK2A1DYRK1A
SCHEMBL8619553 0.83 GSK3B (0.40) CSNK2A2CLK1CSNK2BCSNK2A1DYRK1A
SCHEMBL8619011 0.82 PTGS2 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL8618308 0.78 MTOR (0.47) PIM1PIM2HPGDPPARGMEN1
SCHEMBL8616364 0.77 PIM1 (0.57) CSNK2A2CLK1CSNK2BCSNK2A1DYRK1A
SCHEMBL8617896 0.77 GSK3B (0.61) NPC1RAB9AMAPTPIM1PIM2

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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