SCHEMBL7837525

SCHEMBL7837525

O=[N+]([O-])c1ccccc1S(=O)(=O)n1c(Cl)nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
MET P08581 1/20 0.51
NOD1 Q9Y239 2/20 0.47
ALDH3A1 P30838 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PKM P14618 1/20 0.44
CXCL8 P10145 1/20 0.44
NOD2 Q9HC29 1/20 0.44
HTT P42858 1/20 0.43
GBA1 P04062 1/20 0.43
ACHE P22303 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
SCHEMBL3470253 0.71 ALOX5 (0.65) NOD1ALDH3A1ALDH1A1MEN1KMT2A
SCHEMBL7837246 0.70 SMN1; SMN2 (0.56) GAANOD1ALDH3A1ALDH1A1SMN1; SMN2
SCHEMBL21034360 0.70 SMN1; SMN2 (0.52) GAANOD1ALDH3A1ALDH1A1SMN1; SMN2
SCHEMBL3470885 0.69 ALDH3A1 (0.56) GAANOD1ALDH3A1ALDH1A1MEN1
SCHEMBL20996049 0.68 MET (0.56) GAAMETALDH1A1MEN1KMT2A
SCHEMBL2360974 0.67 ALDH1A1 (0.84) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL6534916 0.67 KMT2A (0.61) GAAMETALDH1A1MEN1KMT2A
SCHEMBL3490377 0.67 SMN1; SMN2 (0.74) GAANOD1ALDH3A1ALDH1A1KMT2A
SCHEMBL2361629 0.67 GAA (0.52) GAAMETALDH1A1MEN1KMT2A
SCHEMBL17278 0.66 KMT2A (0.70) ALDH1A1MEN1KMT2APOLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977740-A4 METHODS FOR SYNTHESIZING 2-SUBSTITUTED IMIDAZOLES SEPRACOR INC (US) 2001-01-17 EP disclosed
EP-0977740-A1 METHODS FOR SYNTHESIZING 2-SUBSTITUTED IMIDAZOLES SEPRACOR, INC. (US) 2000-02-09 EP disclosed
WO-1998046571-A1 METHODS FOR SYNTHESIZING 2-SUBSTITUTED IMIDAZOLES SEPRACOR INC. (US) 1998-10-22 WO disclosed