SCHEMBL8896530

SCHEMBL8896530

O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCOCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
LMNA P02545 5/20 0.58
MAPT P10636 2/20 0.58
KCNJ1 P48048 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
PKM P14618 1/20 0.50
HTT P42858 2/20 0.47
CYP1B1 Q16678 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CTSB P07858 1/20 0.46

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
SCHEMBL1425482 0.86 HPGD (0.58) ALDH1A1LMNAMAPTKCNJ1SMN1; SMN2
SCHEMBL23728205 0.86 HPGD (0.54) ALDH1A1LMNAKCNJ1SMN1; SMN2
SCHEMBL4186870 0.86 LMNA (0.65) ALDH1A1LMNAMAPTKCNJ1SMN1; SMN2
SCHEMBL4431573 0.83 MEN1 (0.57) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL8898022 0.82 L3MBTL1 (0.64) ALDH1A1LMNAKCNJ1SMN1; SMN2HTT
SCHEMBL8897735 0.80 SMN1; SMN2 (0.57) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL4188852 0.78 LMNA (0.50) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2719072 0.78 POLB (0.67) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL25546222 0.78 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2A
SCHEMBL15919361 0.78 NPC1 (0.58) ALDH1A1LMNAMAPTHTTMEN1

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
WO-1997020822-A1 QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST NOVARTIS AG (CH) 1997-06-12 WO disclosed