SCHEMBL8689993

SCHEMBL8689993

O=C1SC(=Cc2cccc3[nH]ccc23)C(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.49
▸ PIM1 P11309 1/20 0.48
▸ PTPN1 P18031 1/20 0.45
▸ CGAS Q8N884 1/20 0.42
▸ TACR1 P25103 4/20 0.41
▸ AKR1B1 P15121 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ ENPP2 Q13822 2/20 0.39
▸ PPARG P37231 1/20 0.39

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
SCHEMBL8688100 0.85 ESRRA (0.44) NLRP3PIM1PTPN1CGASAKR1B1
SCHEMBL8687825 0.78 PIM1 (0.49) NLRP3PIM1PTPN1HTT
SCHEMBL8686691 0.73 AKR1B1 (0.43) PTPN1CGASAKR1B1MAPTHTT
SCHEMBL5787549 0.73 NLRP3 (0.64) NLRP3PIM1PTPN1MAPTPPARG
SCHEMBL3277107 0.73 AMY1A (0.61) NLRP3PIM1PTPN1MAPTPPARG
SCHEMBL5787551 0.73 NLRP3 (0.64) NLRP3PIM1PTPN1MAPTPPARG
SCHEMBL3277109 0.73 AMY1A (0.61) NLRP3PIM1PTPN1MAPTPPARG
SCHEMBL8687249 0.72 ESRRA (0.45) NLRP3PIM1
SCHEMBL8686390 0.72 AKR1B1 (0.41) PTPN1CGASAKR1B1MAPT
SCHEMBL5461877 0.71 MEN1 (0.57) NLRP3PIM1PTPN1CGASPPARG

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-5811439-A ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION; ANTILEPEMIC AGENTS SENGA PHARMACEUTICAL LABORATORY INC. (JP) 1998-09-22 — — US disclosed
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