SCHEMBL8712666

SCHEMBL8712666

O=S(=O)(c1ccccc1)n1cnnn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
SLC9A1 P19634 1/20 0.42
LMNA P02545 1/20 0.41
CYP2C9 P11712 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 2/20 0.40
MMP2 P08253 1/20 0.40
PARL Q9H300 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
CXCL8 P10145 1/20 0.40
NOD1 Q9Y239 1/20 0.40
SRC P12931 1/20 0.39
HTR6 P50406 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 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
SCHEMBL4881482 0.81 MAPT (0.47) SLC9A1LMNAALDH1A1MMP2CXCL8
SCHEMBL5694032 0.75 GAA (0.42) NOTUMALDH1A1TDP1L3MBTL1
SCHEMBL6820313 0.73 CYP2C19 (0.42) SLC9A1LMNACYP2C9ALDH1A1CYP2D6
SCHEMBL11073965 0.69 CYP19A1 (0.43) SLC9A1CYP2C9ALDH1A1CYP2D6MMP2
SCHEMBL4254051 0.67 POLB (0.54) SLC9A1LMNACYP2C9ALDH1A1CYP2D6
SCHEMBL5694221 0.66 RAPGEF4 (0.45) NOTUMALDH1A1MMP2TDP1PIK3CD
SCHEMBL16050475 0.65 HTR6 (0.43) SLC9A1LMNACYP2C9ALDH1A1CYP2D6
SCHEMBL2762763 0.64 ALDH1A1 (0.66) LMNAALDH1A1HSD17B10HTR6L3MBTL1
Dimethyl Sulfone SCHEMBL20720495 0.64 NOTUM (0.78) NOTUMLMNAALDH1A1MAPK1KMT2A
SCHEMBL7368521 0.64 ALDH1A1 (0.40) SLC9A1LMNACYP2C9ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4059592-A COUPLING AGENTS CANADIAN PATENTS AND DEVELOPMENT LIMITED (CA) 1977-11-22 US claimed
EP-0639582-B1 Polynucleotide assay reagent and method ANTIVIRALS INC (US) 1998-09-16 EP disclosed
EP-0215942-B1 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD ANTIVIRALS INC (US) 1995-07-12 EP disclosed
EP-0639582-A2 Polynucleotide assay reagent and method ANTIVIRALS INC. (US) 1995-02-22 EP disclosed
EP-0215942-A4 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD. SUMMERTON JAMES 1988-08-23 EP disclosed
EP-0215942-A1 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD. SUMMERTON JAMES 1987-04-01 EP disclosed
WO-1986005519-A1 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD SUMMERTON JAMES 1986-09-25 WO disclosed
US-4059592-A COUPLING AGENTS CANADIAN PATENTS AND DEVELOPMENT LIMITED (CA) 1977-11-22 US disclosed