SCHEMBL8797130

SCHEMBL8797130

O=S(=O)(c1cccc(F)c1)c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 10/20 0.47
HTR2A P28223 2/20 0.44
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
HTR6 P50406 3/20 0.40
GRM5 P41594 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
SCHEMBL8796811 0.84 SLC40A1 (0.40) ABCC9ABCC8KCNJ11KCNJ8HTR6
SCHEMBL9097096 0.80 POLB (0.50) ABCC9ABCC8KCNJ11KCNJ8RAB9A
SCHEMBL15652223 0.79 ALDH1A1 (0.39) ABCC9ABCC8KCNJ11KCNJ8NPC1
SCHEMBL16698974 0.78 AKR1C3 (0.46) ABCC9ABCC8KCNJ11KCNJ8NPC1
SCHEMBL8017713 0.77 KMT2A (0.62)
SCHEMBL775608 0.75 HTR2C (0.59) NFE2L2HTR2AABCC9ABCC8KCNJ11
SCHEMBL1094871 0.75 ALDH1A1 (0.57) SMN1; SMN2
SCHEMBL502516 0.73 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8SMN1; SMN2
SCHEMBL9460224 0.73 HTR2C (0.50) NFE2L2HTR2AABCC9ABCC8KCNJ11
SCHEMBL27470883 0.71 NFE2L2 (0.60) NFE2L2HTR2AHTR2CHTR2BHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed