SCHEMBL8715405

SCHEMBL8715405

O=C=Nc1ccc(SC(F)(F)C(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TRPA1 O75762 1/20 0.33
CYP1A2 P05177 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
PTPN1 P18031 1/20 0.30
PTPRZ1 P23471 1/20 0.30

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
SCHEMBL10956658 0.88 CYP3A4 (0.39) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL1020679 0.82 TDP1 (0.47) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL11529051 0.81 MAPK1 (0.34) CYP3A4MAPK1TDP1TRPA1
SCHEMBL10968171 0.80 CYP3A4 (0.48) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL10967067 0.80 CYP3A4 (0.44) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL11535287 0.79 CYP3A4 (0.42) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL11533832 0.79 MAPK1 (0.36) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL10361851 0.76 ALDH1A1 (0.30) CYP3A4TDP1LMNA
SCHEMBL11529366 0.75 MAPK1 (0.50) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL11622432 0.74 CYP3A4 (0.45) CYP3A4TSHRMAPK1TDP1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0750499-A4 CARBANILIDE ANTICOCCIDIALS LILLY CO ELI (US) 1998-02-04 EP disclosed
EP-0750499-A1 CARBANILIDE ANTICOCCIDIALS ELI LILLY AND COMPANY (US) 1997-01-02 EP disclosed
US-5541224-A ANIMAL FEEDS ELI LILLY AND COMPANY (US) 1996-07-30 US disclosed
WO-1995024900-A1 CARBANILIDE ANTICOCCIDIALS ELI LILLY AND COMPANY (US) 1995-09-21 WO disclosed
EP-0050827-B1 3-(P-ALKYLSULFONYLPHENYL)-AND 3-(P-ALKYLSULFINYLPHENYL)OXAZOLIDINONE DERIVATIVES AS ANTI-BACTERIAL AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-04-30 EP disclosed
US-4340606-A 3-(p-Alkylsulfonylphenyl)oxazolidinone derivatives as antibacterial agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-07-20 US disclosed
EP-0050827-A1 3-(p-Alkylsulfonylphenyl)-and 3-(p-alkylsulfinylphenyl)oxazolidinone derivatives as anti-bacterial agents E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-05-05 EP disclosed
US-4140792-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed