SCHEMBL6903303

SCHEMBL6903303

CC=C(c1ccccc1)C(c1ccccc1)c1ccc(C=CC(=O)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.45
MMP2 P08253 2/20 0.45
CA1 P00915 1/20 0.45
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
KMT2A Q03164 5/20 0.44
PTPN1 P18031 1/20 0.44
PTPN12 Q05209 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
MAPT P10636 4/20 0.43
MAOB P27338 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 4/20 0.42
LMNA P02545 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 5/20 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
SCHEMBL6901743 0.91 HDAC1 (0.50) KMT2AMAPTMAOBMEN1LMNA
SCHEMBL6898723 0.86 HDAC1 (0.48) LMNA
SCHEMBL6898020 0.86 HDAC1 (0.42) MMP2MMP1MMP9
SCHEMBL6897954 0.86 HDAC1 (0.53) MMP2MMP1MMP9MAOB
SCHEMBL6897962 0.85 PGR (0.43) MMP2MMP1MMP9MAOB
SCHEMBL6901609 0.83 HDAC1 (0.48) MMP2MMP1MMP9KMT2AMAPT
SCHEMBL6900931 0.83 HDAC3 (0.45) LMNA
SCHEMBL6898018 0.83 HDAC3 (0.45) MMP2MMP1MMP9KMT2A
SCHEMBL6901597 0.83 HDAC1 (0.48) MMP2MMP1MMP9KMT2AMAPT
SCHEMBL6904409 0.83 HDAC1 (0.54) CA2MMP2CA1MMP1MMP9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417169-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP claimed
WO-2003016270-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-02-27 WO claimed
EP-1417169-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP disclosed
WO-2003016270-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-02-27 WO disclosed