SCHEMBL8968261

SCHEMBL8968261

CN1Cc2cc([N+](=O)[O-])ccc2NS1(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PNMT P11086 5/20 0.40
ADRA2A P08913 3/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
HRH4 Q9H3N8 2/20 0.38
ACHE P22303 1/20 0.38
AKR1B1 P15121 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL8312887 0.82 PNMT (0.40) ALDH1A1SMN1; SMN2SIRT6SIRT2MEN1
SCHEMBL654959 0.76 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2SIRT6SIRT2MEN1
SCHEMBL6591835 0.74 PNMT (0.44) ALDH1A1SIRT2MEN1KMT2APNMT
SCHEMBL14721486 0.74 BRD4 (0.59) ALDH1A1SMN1; SMN2SIRT2AKR1B1
SCHEMBL29945643 0.72 DPP7 (0.50) ALDH1A1SIRT6SIRT2MEN1KMT2A
SCHEMBL324724 0.68 ADRA2A (0.51) ALDH1A1SMN1; SMN2SIRT6MEN1KMT2A
SCHEMBL29558059 0.68 ADRA2A (0.51) ALDH1A1SMN1; SMN2SIRT6MEN1KMT2A
SCHEMBL1950525 0.67 PNMT (0.54) ALDH1A1SMN1; SMN2SIRT6SIRT2MEN1
SCHEMBL2103994 0.67 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2SIRT6MEN1KMT2A
SCHEMBL1163008 0.67 CASP1 (0.49) ALDH1A1SMN1; SMN2SIRT6MEN1KMT2A

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
US-5504095-A Aminobenzosultam derivatives as lipoxygenase inhibitors PFIZER INC. (US) 1996-04-02 US disclosed
EP-0549666-B1 NOVEL AMINOBENZOSULTAM DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1994-11-23 EP disclosed
EP-0549666-A1 NOVEL AMINOBENZOSULTAM DERIVATIVES AS LIPOXYGENASE INHIBITORS. PFIZER (US) 1993-07-07 EP disclosed
WO-1992005164-A1 NOVEL AMINOBENZOSULTAM DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1992-04-02 WO disclosed