SCHEMBL19720320

SCHEMBL19720320

Cc1cc(Cl)cc(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCSCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
TBXA2R P21731 1/20 0.42
HTT P42858 3/20 0.41
PDE7A Q13946 1/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39

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
SCHEMBL13157463 0.93 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL13108359 0.93 L3MBTL1 (0.51) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL13099398 0.87 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL2819932 0.83 L3MBTL1 (0.51) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL2820157 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL3101531 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL2821604 0.82 L3MBTL1 (0.50) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL15334543 0.82 LMNA (0.41) ALDH1A1SMN1; SMN2L3MBTL1LMNANPSR1
SCHEMBL14768636 0.81 LMNA (0.59) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL3114097 0.81 L3MBTL1 (0.55) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A

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-2749554-B1 2,5-disubstituted arylsulfonamide CCR3 antagonists SMA THERAPEUTICS INC (US) 2017-12-20 EP disclosed