SCHEMBL28077906

SCHEMBL28077906

CC(O)(C(=O)Nc1ccccc1)C(C(F)(F)F)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 12/20 0.52
ABCC8 Q09428 12/20 0.52
KCNJ11 Q14654 12/20 0.52
KCNJ8 Q15842 12/20 0.52
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
PDK1 Q15118 3/20 0.48
PDK2 Q15119 3/20 0.48
PDK3 Q15120 3/20 0.48
PDK4 Q16654 3/20 0.48
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
USP30 Q70CQ3 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
SCHEMBL2782039 0.85 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL6658076 0.72 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL3953118 0.71 CYP2C19 (0.52) KMT2AMEN1CYP3A4CYP2D6TSHR
SCHEMBL8866461 0.70 ABCC9 (0.69) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL28820241 0.70 PDK1 (0.37) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL1289338 0.70 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL8866328 0.69 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL14086882 0.67 PDK1 (0.65) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL16212234 0.67 PDK1 (0.70) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL776342 0.67 HTR6 (0.44) KMT2AMEN1TSHR

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
CN-105764511-B Composition and method for treating cancer 艾普托斯生物科学公司 2019-01-11 CN disclosed
CN-105764511-A Compositions and methods for treating cancers 艾普托斯生物科学公司 2016-07-13 CN disclosed