SCHEMBL14304331

SCHEMBL14304331

Nc1ccc(S(=O)(=O)CCCN2CCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOX P28300 2/20 0.60
HRH3 Q9Y5N1 6/20 0.49
KCNH2 Q12809 3/20 0.48
EPHX2 P34913 1/20 0.45
MBTD1 Q05BQ5 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.44
HTR7 P34969 1/20 0.43
LMNA P02545 1/20 0.42
MPO P05164 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
HTR6 P50406 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
LTA4H P09960 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL56319 0.89 LOX (0.57) LOXHRH3KCNH2GAALMNA
SCHEMBL19274818 0.87 HRH3 (0.64) LOXHRH3KCNH2EPHX2MBTD1
SCHEMBL14501826 0.86 LOX (0.51) LOXEPHX2GAALMNAHTR6
SCHEMBL14502091 0.84 ALDH1A1 (0.62) LOXHRH3MBTD1L3MBTL1GAA
SCHEMBL2494859 0.84 SIGMAR1 (0.57) LOXHRH3KCNH2EPHX2MBTD1
SCHEMBL14490130 0.83 MEN1 (0.55) LOXHRH3KCNH2EPHX2MBTD1
SCHEMBL2492457 0.79 SRC (0.49) LOXHRH3KCNH2EPHX2
SCHEMBL29980399 0.78 GAA (0.61) GAALMNAMPOCYP3A4CYP2C9
SCHEMBL7798812 0.77 LMNA (0.51) LOXGAALMNATSHRALDH1A1
SCHEMBL1636286 0.77 L3MBTL1 (0.74) MBTD1L3MBTL1GAAHTR7LMNA

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
US-8481536-B2 Benzotriazine inhibitors of kinases TARGEGEN, INC. (US) 2013-07-09 US disclosed
EP-2543376-A1 Benzotriazine inhibitors of kinases Targegen, Inc. (US) 2013-01-09 EP disclosed
WO-2008008234-A1 2-AMINO-5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-17 WO disclosed