SCHEMBL4394804

SCHEMBL4394804

CCN(C(=O)O)c1nsc2c([N+](=O)[O-])cccc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
FBP1 P09467 2/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 6/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
TSHR P16473 1/20 0.36
GPR35 Q9HC97 1/20 0.36
ACP1 P24666 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL3813362 0.78 ALDH1A1 (0.40) TDP1FBP1POLBMEN1KMT2A
SCHEMBL6770368 0.73 TDP1 (0.46) TDP1FBP1POLBMEN1KMT2A
SCHEMBL17224000 0.73 TDP1 (0.42) TDP1FBP1POLBMEN1KMT2A
SCHEMBL14352772 0.71 TDP1 (0.50) TDP1POLBMEN1KMT2AALDH1A1
SCHEMBL28966398 0.71 TDP1 (0.50) TDP1POLBMEN1KMT2AALDH1A1
SCHEMBL30304769 0.71 TDP1 (0.50) TDP1POLBMEN1KMT2AALDH1A1
SCHEMBL1694355 0.70 ALDH1A1 (0.48) TDP1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL8392625 0.68 TDP1 (0.50) TDP1POLBMEN1KMT2AALDH1A1
SCHEMBL11213482 0.68 TDP1 (0.50) TDP1POLBMEN1KMT2AALDH1A1
SCHEMBL1856414 0.67 ALDH1A1 (0.50) TDP1POLBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123159-A1 (1,2-Benzisothiazol-3-yl)(thio)carbamates and (1,2-Benzisothiazol-3-yl)(thio)oxamates and their oxidation forms as pesticides Bayer CropScience AG (DE) 2009-11-25 EP disclosed