SCHEMBL8237254

SCHEMBL8237254

CN(C(=O)c1ncc(-c2cccc(C(F)(F)F)c2)s1)c1c(F)cccc1F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.54
HSD17B2 P37059 3/20 0.54
HDAC6 Q9UBN7 1/20 0.47
IL2 P60568 1/20 0.45
GRIN2B Q13224 2/20 0.45
DGAT1 O75907 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPBAR1 Q8TDU6 3/20 0.41
KMO O15229 2/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40
RORB Q92753 2/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK2 Q92630 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
SCHEMBL5048822 0.77 HDAC6 (0.56) HDAC6IL2DGAT1ALDH1A1PIK3CD
SCHEMBL5051437 0.71 IL2 (0.66) HDAC6IL2RORB
SCHEMBL1764981 0.70 ALDH1A1 (0.48) HDAC6ALDH1A1SMN1; SMN2DYRK1ADYRK2
SCHEMBL5048966 0.70 GRIN2B (0.42) HDAC6IL2GRIN2BALDH1A1SMN1; SMN2
SCHEMBL594373 0.68 KDR (0.50) HDAC6IL2DGAT1ALDH1A1SMN1; SMN2
SCHEMBL13018928 0.68 ALDH1A1 (0.49) HDAC6ALDH1A1SMN1; SMN2DYRK1ADYRK2
SCHEMBL40156 0.68 ADORA2A (0.49) HDAC6ALDH1A1SMN1; SMN2RORBDYRK1A
SCHEMBL1198760 0.67 LOXL2 (0.48) HDAC6ALDH1A1DYRK1ADYRK2
SCHEMBL6254123 0.66 NTRK1 (0.38) HDAC6IL2ALDH1A1SMN1; SMN2KMO
SCHEMBL216900 0.66 HSD17B1 (0.54) HSD17B1HSD17B2HDAC6IL2ALDH1A1

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
WO-2007087427-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO disclosed