SCHEMBL7571544

SCHEMBL7571544

O=[N+]([O-])c1ccc(S(=O)(=O)N(F)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
ALDH1A1 P00352 3/20 0.61
CRHBP P24387 2/20 0.61
CRHR2 Q13324 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
ATM Q13315 1/20 0.61
TLR9 Q9NR96 1/20 0.61
CA9 Q16790 4/20 0.51
CA12 O43570 3/20 0.51
CA2 P00918 3/20 0.51
CA1 P00915 2/20 0.51
CA3 P07451 2/20 0.51
CA4 P22748 2/20 0.51
CA6 P23280 2/20 0.51
CA5A P35218 2/20 0.51
CA7 P43166 2/20 0.51
CA13 Q8N1Q1 2/20 0.51
CA14 Q9ULX7 2/20 0.51
CA5B Q9Y2D0 2/20 0.51

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
SCHEMBL141091 0.82 APOBEC3G (0.64) MEN1KMT2AALDH1A1L3MBTL1CA9
SCHEMBL2520150 0.80 MEN1 (0.66) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL28559827 0.80 APOBEC3G (0.61) MEN1KMT2AALDH1A1L3MBTL1CA9
Ammonia Solution, Strong SCHEMBL28363215 0.80 APOBEC3G (0.61) MEN1KMT2AALDH1A1L3MBTL1CA9
SCHEMBL27732618 0.78 ALDH1A1 (0.96) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL21901216 0.77 CA12 (0.66) KMT2AALDH1A1L3MBTL1CA9CA12
SCHEMBL17817838 0.76 ALDH1A1 (1.00) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL3853529 0.76 ALDH1A1 (1.00) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL1039452 0.76 ALDH1A1 (1.00) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL6748095 0.75 MEN1 (0.54) MEN1KMT2AALDH1A1CRHBPCRHR2

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-1224165-A1 NOVEL COMPOUNDS New Pharma Research Sweden AB (SE) 2002-07-24 EP disclosed
WO-2001030749-A1 NOVEL COMPOUNDS NEW PHARMA RESEARCH SWEDEN AB (SE) 2001-05-03 WO disclosed