SCHEMBL6416133

SCHEMBL6416133

CC(CC(=O)Nc1ccc2c(c1)-c1ccccc1S2(=O)=O)CC(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.57
ABCC8 Q09428 1/20 0.57
KCNJ11 Q14654 1/20 0.57
KCNJ8 Q15842 1/20 0.57
EPHX2 P34913 1/20 0.49
MAOA P21397 2/20 0.48
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
PTPRC P08575 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL6339286 0.84 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8EPHX2
SCHEMBL5110259 0.82 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8EPHX2
SCHEMBL5113168 0.77 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8EPHX2
SCHEMBL5116247 0.76 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8EPHX2
SCHEMBL5111868 0.74 MAOA (0.81) ABCC9ABCC8KCNJ11KCNJ8EPHX2
SCHEMBL5113896 0.73 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8EPHX2
SCHEMBL5113480 0.70 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8EPHX2
SCHEMBL5110631 0.68 LMNA (0.55) ABCC9ABCC8KCNJ11KCNJ8EPHX2
SCHEMBL5110628 0.68 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8EPHX2
SCHEMBL5110486 0.67 ABCC9 (0.47) ABCC9ABCC8KCNJ11KCNJ8EPHX2

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-6967216-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-11-22 US disclosed