SCHEMBL5515237

SCHEMBL5515237

CN(C)S(=O)(=O)OC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 2/20 0.48
F2 P00734 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD11B1 P28845 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 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
SCHEMBL2833087 0.80 LMNA (0.47) TSHRSMN1; SMN2LMNAF2L3MBTL1
SCHEMBL11229628 0.78 LMNA (0.45) TSHRSMN1; SMN2MAPTRAB9ALMNA
SCHEMBL1020413 0.78 TSHR (0.56) TSHRSMN1; SMN2MAPTLMNAF2
SCHEMBL27968908 0.78 LMNA (0.49) TSHRSMN1; SMN2MAPTRAB9ALMNA
SCHEMBL1315543 0.77 LMNA (0.58) TSHRSMN1; SMN2MAPTLMNAF2
SCHEMBL16322651 0.77 L3MBTL1 (0.50) TSHRMAPTRAB9ALMNAL3MBTL1
SCHEMBL27647867 0.76 TSHR (0.54) TSHRSMN1; SMN2MAPTLMNAF2
SCHEMBL27668297 0.76 TSHR (0.54) TSHRSMN1; SMN2MAPTLMNAF2
SCHEMBL4818821 0.75 LMNA (0.56) TSHRSMN1; SMN2MAPTLMNAF2
SCHEMBL11150957 0.75 TSHR (0.58) TSHRSMN1; SMN2MAPTLMNAF2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3947345-A1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION Fondazione Istituto Italiano di Tecnologia (IT) 2022-02-09 EP disclosed
WO-2020202072-A1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2020-10-08 WO disclosed
EP-1828147-A1 QUINOXALINES AS B-RAF INHIBITORS AstraZeneca AB (SE) 2007-09-05 EP disclosed
WO-2006040568-A1 QUINOXALINES AS B RAF INHIBITORS ASTRAZENECA AB (SE) 2006-04-20 WO disclosed