SCHEMBL28846257

SCHEMBL28846257

CC(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2F)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ LMNA P02545 2/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KAT6A Q92794 1/20 0.43
▸ PTPRC P08575 2/20 0.42
▸ CTSL P07711 1/20 0.42
▸ PTPN1 P18031 1/20 0.42

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
SCHEMBL28157284 0.86 LMNA (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL28156717 0.85 MEN1 (0.50) MEN1KMT2ATDP1SMN1; SMN2GAA
SCHEMBL28157364 0.84 LMNA (0.45) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL28156712 0.83 SMN1; SMN2 (0.41) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL28157305 0.83 MEN1 (0.48) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL28156718 0.81 KAT6A (0.50) MEN1KMT2ATDP1SMN1; SMN2GAA
SCHEMBL28846379 0.81 HPGD (0.52) MEN1KMT2ATDP1SMN1; SMN2GAA
SCHEMBL28156742 0.79 LMNA (0.52) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL16246509 0.78 NPC1 (0.47) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL28156782 0.78 LMNA (0.42) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1

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
Send feedback