SCHEMBL7602645

SCHEMBL7602645

O=[N+]([O-])c1ccc(S(=O)(=O)OCc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
CA2 P00918 7/20 0.42
CA1 P00915 6/20 0.42
CA9 Q16790 6/20 0.42
CA12 O43570 5/20 0.42
CA7 P43166 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA3 P07451 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA13 Q8N1Q1 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CYP19A1 P11511 1/20 0.41
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL952171 0.89 KMT2A (0.49) PRMT5WDR77KMT2ALMNAMEN1
SCHEMBL196874 0.87 HSD11B1 (0.41) PRMT5WDR77CA2CA1CA9
SCHEMBL29516013 0.87 HSD11B1 (0.41) PRMT5WDR77CA2CA1CA9
SCHEMBL59130 0.87 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL7604077 0.84 SMN1; SMN2 (0.47) CA2CYP19A1KMT2ALMNAMEN1
SCHEMBL3253710 0.83 PTGS2 (0.42) CYP19A1KMT2ALMNAMEN1CYP3A4
SCHEMBL9550116 0.80 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1HTT
SCHEMBL27724423 0.78 HTT (0.55) CA2CA1CA9CA12CA7
SCHEMBL9550112 0.78 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9550095 0.78 KMT2A (0.44) KMT2ALMNAMEN1ALDH1A1HTT

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-6492075-B1 COATING WITH CLEAVING COMPOUND TO CONTROLLABLY DECREASE SIZE OF DEVELOPED RESIST ADVANCED MICRO DEVICES, INC. 2002-12-10 US disclosed
US-6274289-B1 Chemical resist thickness reduction process ADVANCED MICRO DEVICES, INC. 2001-08-14 US disclosed
US-4996136-A Radiation sensitive materials and devices made therewith AT&T BELL LABORATORIES (US) 1991-02-26 US disclosed