SCHEMBL5720147

SCHEMBL5720147

O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cc(Cl)c(Cl)cc1S(=O)(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
LMNA P02545 3/20 0.58
POLB P06746 1/20 0.58
CCR6 P51684 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
GPR55 Q9Y2T6 1/20 0.58
TDP1 Q9NUW8 3/20 0.53
MEN1 O00255 1/20 0.47
TTR P02766 1/20 0.47
PPOX P50336 1/20 0.47
KMT2A Q03164 1/20 0.47
MASP2 O00187 1/20 0.44
F2 P00734 1/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 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
SCHEMBL9052089 0.83 MAPT (0.58) MAPTLMNAPOLBCCR6NPSR1
SCHEMBL8438235 0.81 MAPT (0.46) MAPTLMNAPOLBCCR6NPSR1
SCHEMBL10980033 0.81 MAPT (0.61) MAPTLMNAPOLBCCR6NPSR1
SCHEMBL5720013 0.81 L3MBTL1 (0.46) MAPTLMNAPOLBCCR6NPSR1
Ammonia Solution, Strong SCHEMBL8433966 0.80 MAPT (0.45) MAPTLMNAPOLBCCR6NPSR1
Ammonia Solution, Strong SCHEMBL8433971 0.80 MAPT (0.45) MAPTLMNAPOLBCCR6NPSR1
SCHEMBL9282689 0.80 MAPT (0.45) MAPTLMNAPOLBCCR6NPSR1
Ammonia Solution, Strong SCHEMBL8433967 0.80 MAPT (0.45) MAPTLMNAPOLBCCR6NPSR1
Ammonia Solution, Strong SCHEMBL5720361 0.79 MAPT (0.45) MAPTLMNAPOLBCCR6NPSR1
Ammonia Solution, Strong SCHEMBL5720368 0.79 MAPT (0.45) MAPTLMNAPOLBCCR6NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841910-A4 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2006-09-13 EP disclosed
EP-0765305-B1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1999-12-15 EP disclosed
US-5912270-A Anti-inflammatory compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-06-15 US disclosed
EP-0841910-A1 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1998-05-20 EP disclosed
EP-0765305-A4 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1997-09-03 EP disclosed
EP-0765305-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-02 EP disclosed
WO-1997004765-A1 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1997-02-13 WO disclosed
WO-1995033712-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed
US-5470882-A Anti-inflammatory compounds SMITHKLINE BEECHAM CORP. (US) 1995-11-28 US disclosed