SCHEMBL28157313

SCHEMBL28157313

Cc1ccc(CN(C)S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 6/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ TP53 P04637 2/20 0.45
▸ POLB P06746 4/20 0.44
▸ LMNA P02545 3/20 0.43
▸ TNF P01375 1/20 0.43
▸ NOD1 Q9Y239 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 0.93 HDAC4 (0.54) RXFP1MEN1KMT2AHDAC4HDAC6
SCHEMBL28156807 0.90 MEN1 (0.53) RXFP1MEN1KMT2AHDAC4HDAC6
SCHEMBL28156782 0.82 LMNA (0.42) RXFP1MEN1KMT2AMAPTTP53
SCHEMBL16246210 0.82 CFTR (0.60) RXFP1MEN1KMT2ATHRBMAPT
SCHEMBL28156810 0.81 MAPT (0.42) RXFP1MEN1KMT2AMAPTTP53
SCHEMBL28157366 0.80 MAPT (0.41) MEN1KMT2AHDAC4HDAC6MAPT
SCHEMBL28846370 0.80 GSTO1 (0.42) MEN1KMT2AMAPTTP53POLB
SCHEMBL28157364 0.79 LMNA (0.45) RXFP1MEN1KMT2AMAPTTP53
SCHEMBL28157321 0.77 TP53 (0.44) RXFP1MEN1KMT2AMAPTTP53
SCHEMBL28157305 0.77 MEN1 (0.48) RXFP1MEN1KMT2AMAPTTP53

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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