SCHEMBL5720173

SCHEMBL5720173

CCC(C)(C)c1ccc(S(=O)(=O)Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MASP2 O00187 1/20 0.41
F2 P00734 1/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ESRRA P11474 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
HPD P32754 1/20 0.39

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
SCHEMBL9282689 0.89 MAPT (0.45) MAPTTDP1LMNAPOLBCCR6
Ammonia Solution, Strong SCHEMBL5720368 0.88 MAPT (0.45) MAPTTDP1LMNAPOLBCCR6
Ammonia Solution, Strong SCHEMBL5720361 0.88 MAPT (0.45) MAPTTDP1LMNAPOLBCCR6
SCHEMBL8438235 0.84 MAPT (0.46) MAPTTDP1LMNAPOLBCCR6
Ammonia Solution, Strong SCHEMBL8433966 0.83 MAPT (0.45) MAPTTDP1LMNAPOLBCCR6
Ammonia Solution, Strong SCHEMBL8433967 0.83 MAPT (0.45) MAPTTDP1LMNAPOLBCCR6
Ammonia Solution, Strong SCHEMBL8433971 0.83 MAPT (0.45) MAPTTDP1LMNAPOLBCCR6
SCHEMBL8740797 0.80 MAPT (0.56) MAPTTDP1LMNAPOLBCCR6
SCHEMBL8435213 0.79 SMN1; SMN2 (0.52) MAPTTDP1LMNAPOLBHPGD
SCHEMBL8077154 0.78 MAPT (0.54) MAPTTDP1LMNAPOLBCCR6

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 3 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-0841910-A1 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1998-05-20 EP disclosed
WO-1997004765-A1 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1997-02-13 WO disclosed