SCHEMBL8956550

SCHEMBL8956550

O=S(=O)(c1ccccc1)N1OC1c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.42
CYP3A4 P08684 4/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 2/20 0.38
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
LSS P48449 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL2223806 0.88 ALDH1A1 (0.49) CYP3A4CYP2C9CYP2D6CYP2C19SMN1; SMN2
SCHEMBL113655 0.88 ALDH1A1 (0.49) CYP3A4CYP2C9CYP2D6CYP2C19SMN1; SMN2
SCHEMBL113055 0.88 ALDH1A1 (0.49) CYP3A4CYP2C9CYP2D6CYP2C19SMN1; SMN2
SCHEMBL2338341 0.88 ALDH1A1 (0.49) CYP3A4CYP2C9CYP2D6CYP2C19SMN1; SMN2
SCHEMBL13663248 0.88 ALDH1A1 (0.49) CYP3A4CYP2C9CYP2D6CYP2C19SMN1; SMN2
SCHEMBL13663246 0.88 ALDH1A1 (0.49) CYP3A4CYP2C9CYP2D6CYP2C19SMN1; SMN2
SCHEMBL8956525 0.83 CYP3A4 (0.52) CYP3A4CYP2C9CYP2D6CYP2C19ALDH1A1
SCHEMBL9770675 0.79 PTGS2 (0.41) SMN1; SMN2ALDH1A1KMT2ARAB9AL3MBTL1
Hydrochloric Acid SCHEMBL8956692 0.79 L3MBTL1 (0.36) HTR6CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1325117 0.77 MMP2 (0.55) SMN1; SMN2ALDH1A1TSHRLMNAMAPT

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
EP-0446981-B1 Bleaching compounds and compositions UNILEVER NV (NL) 1996-01-03 EP disclosed
US-5310925-A Fabric detergents LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1994-05-10 US disclosed
EP-0446981-A1 Bleaching compounds and compositions UNILEVER N.V. (NL) 1991-09-18 EP disclosed
US-5045223-A N-sulfonyloxaziridines as bleaching compounds LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1991-09-03 US disclosed