SCHEMBL1701615

SCHEMBL1701615

CNc1c([N+](=O)[O-])cccc1S(N)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
CA2 P00918 2/20 0.45
CA1 P00915 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
CA9 Q16790 1/20 0.45
F2 P00734 3/20 0.43
PRSS1 P07477 3/20 0.43
PRSS2 P07478 3/20 0.43
PRSS3 P35030 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
THRB P10828 2/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 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
SCHEMBL2524312 0.80 TDP1 (0.58) KMT2AMEN1TDP1MAPTHSD17B10
SCHEMBL30349660 0.79 KMT2A (0.46) KMT2AMEN1CA2CA1MMP1
SCHEMBL1807309 0.78 TDP1 (0.62) KMT2AMEN1CA2CA1MMP1
SCHEMBL370668 0.77 KMT2A (0.70) KMT2AMEN1CA2CA1MMP1
SCHEMBL4158554 0.77 KMT2A (0.70) KMT2AMEN1CA2CA1MMP1
SCHEMBL25169485 0.77 KMT2A (0.41) KMT2AMEN1CA2CA1MMP1
SCHEMBL4725194 0.76 TDP1 (0.48) KMT2AMEN1TDP1MAPTKDM4E
SCHEMBL29483006 0.76 TDP1 (0.48) KMT2AMEN1TDP1MAPTKDM4E
SCHEMBL7531976 0.76 KMT2A (0.53) KMT2AMEN1CA2CA1MMP1
SCHEMBL30075050 0.76 KMT2A (0.53) KMT2AMEN1CA2CA1MMP1

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
EP-2576546-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-04-10 EP disclosed
WO-2011149492-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed