SCHEMBL28057682

SCHEMBL28057682

CC(C)(C)C(=O)c1sc(S(=O)(=O)c2cccc(F)c2)c(N)c1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
IKBKB O14920 2/20 0.38
HTR6 P50406 7/20 0.36
CFTR P13569 2/20 0.35
FEN1 P39748 1/20 0.34
PARP1 P09874 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
TSHR P16473 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CRHBP P24387 1/20 0.33

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
SCHEMBL28057781 0.86 CFTR (0.45) ABCC9ABCC8KCNJ11KCNJ8IKBKB
SCHEMBL28157273 0.81 ABCC9 (0.39) ABCC9ABCC8KCNJ11KCNJ8IKBKB
SCHEMBL28057794 0.68 MEN1 (0.47) CFTRMEN1ALDH1A1MAPTHPGD
SCHEMBL28156822 0.67 CFTR (0.32) CFTRKDM4EMEN1ALDH1A1MAPT
SCHEMBL28156746 0.67 CFTR (0.40) ABCC9ABCC8KCNJ11KCNJ8IKBKB
SCHEMBL16338571 0.66 CFTR (0.78) ABCC9ABCC8KCNJ11KCNJ8IKBKB
SCHEMBL28057649 0.64 LMNA (0.39) ABCC9ABCC8KCNJ11KCNJ8TSHR
SCHEMBL775608 0.63 HTR2C (0.59) ABCC9ABCC8KCNJ11KCNJ8HTR6
SCHEMBL16246497 0.61 ANXA2 (0.41) IKBKBHTR6KDM4EMEN1ALDH1A1
SCHEMBL16246531 0.61 ALDH1A1 (0.52) IKBKBHTR6KDM4EMEN1ALDH1A1

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
CN-105531268-A Novel compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV 2016-04-27 CN disclosed