SCHEMBL25848742

SCHEMBL25848742

CC(C)c1ccc(NS(=O)(=O)c2cn(C)cn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
ALDH1A1 P00352 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MAPK1 P28482 1/20 0.61
HTR6 P50406 1/20 0.49
GLO1 Q04760 1/20 0.48
LMNA P02545 2/20 0.47
FBP1 P09467 1/20 0.46
GAA P10253 2/20 0.45
KMT2A Q03164 1/20 0.45
PGR P06401 1/20 0.45
POLB P06746 1/20 0.44
TRIM24 O15164 1/20 0.43
BRD1 O95696 1/20 0.43
BRPF1 P55201 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
PIK3CG P48736 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
SCHEMBL10192089 0.84 TSHR (0.70) TSHRL3MBTL1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL18862468 0.82 TSHR (0.68) TSHRL3MBTL1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL28752749 0.79 TSHR (0.64) TSHRL3MBTL1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL23113013 0.74 TSHR (0.57) TSHRL3MBTL1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL7921928 0.73 LMNA (0.51) TSHRL3MBTL1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL24904403 0.71 TSHR (0.51) TSHRL3MBTL1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL4070446 0.71 LMNA (0.55) TSHRL3MBTL1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL5396577 0.70 GLO1 (0.44) TSHRL3MBTL1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL289059 0.70 LMNA (0.54) TSHRL3MBTL1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL420412 0.70 LMNA (0.54) TSHRL3MBTL1ALDH1A1SMN1; SMN2MAPK1

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
EP-3793990-B1 ANTIBACTERIAL COMPOUNDS INFEX THERAPEUTICS LTD (GB) 2023-07-19 EP disclosed