SCHEMBL7399166

SCHEMBL7399166

N#CC1=NN(c2ccc(Cl)cc2Cl)C(=O)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.53
CD274 Q9NZQ7 2/20 0.53
KMT2A Q03164 6/20 0.52
MAPT P10636 5/20 0.52
MEN1 O00255 3/20 0.52
LMNA P02545 3/20 0.52
ALOX12 P18054 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CASP6 P55212 1/20 0.43
TLR8 Q9NR97 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
OPRM1 P35372 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35
NOTUM Q6P988 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP11B2 P19099 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL14608039 0.81 MAPT (0.39) PDCD1CD274KMT2AMAPTMEN1
SCHEMBL26721829 0.79 KMT2A (0.59) PDCD1CD274KMT2AMAPTMEN1
SCHEMBL10435333 0.78 MAPT (0.67) PDCD1CD274KMT2AMAPTMEN1
SCHEMBL11182553 0.78 PDCD1 (0.56) PDCD1CD274KMT2AMAPTMEN1
SCHEMBL22908674 0.75 KMT2A (0.70) PDCD1CD274KMT2AMAPTMEN1
SCHEMBL8616032 0.74 PDCD1 (0.53) PDCD1CD274KMT2AMAPTMEN1
SCHEMBL22909309 0.74 KMT2A (0.55) PDCD1CD274KMT2AMAPTMEN1
SCHEMBL10435326 0.73 MAPT (0.75) PDCD1CD274KMT2AMAPTMEN1
SCHEMBL22908633 0.72 PDCD1 (0.54) PDCD1CD274KMT2AMAPTMEN1
SCHEMBL22909301 0.72 KMT2A (0.62) PDCD1CD274KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750550-A RESPIRATORY SYSTEM DISORDERS SANOFI (FR) 1998-05-12 US disclosed
WO-1997010243-A1 2-(PYRAZOL-5-YL-OXYMETHYL)-1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (US) 1997-03-20 WO disclosed