SCHEMBL10654745

SCHEMBL10654745

COS(=O)(=O)c1cccc([N+](=O)[O-])c1S(=O)(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
F2 P00734 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL29508624 0.84 KMT2A (0.63) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL1317710 0.84 KMT2A (0.63) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL10482176 0.83 TDP1 (0.58) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL9574298 0.79 TDP1 (0.39) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL9574366 0.79 TDP1 (0.43) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL5082690 0.75 KMT2A (0.41) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL29474818 0.73 KMT2A (0.58) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL9574353 0.73 KMT2A (0.37) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL6846086 0.72 KMT2A (0.55) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL6846085 0.72 KMT2A (0.55) KMT2AMEN1F2PRSS1PRSS2

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-0184660-B1 MONOCYCLIC BIS-OXYETHYLSULFONYL-BENZENES AND PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1988-04-06 EP disclosed
EP-0184660-A1 Monocyclic bis-oxyethylsulfonyl-benzenes and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1986-06-18 EP disclosed