SCHEMBL28156807

SCHEMBL28156807

COc1ccc(CN(C)S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.53
▸ KMT2A Q03164 9/20 0.53
▸ POLB P06746 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ MAPT P10636 3/20 0.48
▸ TNF P01375 1/20 0.47
▸ NOD2 Q9HC29 1/20 0.47
▸ NOD1 Q9Y239 1/20 0.47
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.45
▸ HDAC4 P56524 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ TP53 P04637 1/20 0.43

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
SCHEMBL28156802 0.91 HDAC4 (0.54) MEN1KMT2APOLBMAPTTNF
SCHEMBL28157313 0.90 RXFP1 (0.46) MEN1KMT2APOLBMAPTTNF
SCHEMBL28157283 0.85 KDM4E (0.53) MEN1KMT2APOLBKDM4ENPSR1
SCHEMBL16263745 0.82 CFTR (0.59) MEN1KMT2APOLBKDM4ENPSR1
SCHEMBL28846370 0.82 GSTO1 (0.42) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL28156782 0.81 LMNA (0.42) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL28156810 0.80 MAPT (0.42) MEN1KMT2APOLBTDP1MAPT
SCHEMBL28157366 0.79 MAPT (0.41) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL28157364 0.78 LMNA (0.45) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL28846481 0.78 MEN1 (0.47) MEN1KMT2APOLBMAPTTNF

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-B Noval chemical compound and its pharmaceutical composition for treating cystic fibrosis 加拉佩格斯股份有限公司 2017-09-12 — — CN disclosed
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