SCHEMBL7413485

SCHEMBL7413485

N=C(N)NOCCCOc1ccc(C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.48
ITGA2B P08514 9/20 0.48
TYMS P04818 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADAMTS4 O75173 1/20 0.46
MMP13 P45452 1/20 0.46
AR P10275 1/20 0.45
ICMT O60725 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ITGAV P06756 3/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
POLB P06746 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL7412090 0.96 ITGB3 (0.47) ITGB3ITGA2BTYMSMEN1KMT2A
SCHEMBL7412949 0.90 ITGB3 (0.55) ITGB3ITGA2BMEN1KMT2AL3MBTL1
SCHEMBL7412096 0.88 MEN1 (0.43) ITGB3ITGA2BMEN1KMT2AL3MBTL1
Trifluoroacetic Acid SCHEMBL7414945 0.86 ITGB3 (0.52) ITGB3ITGA2BL3MBTL1ADAMTS4MMP2
SCHEMBL7409585 0.86 ITGB3 (0.61) ITGB3ITGA2BADAMTS4MMP13ITGAV
SCHEMBL7414200 0.86 ITGB3 (0.51) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL7412198 0.86 ITGB3 (0.51) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL7702396 0.86 ITGB3 (0.51) ITGB3ITGA2BMMP13ITGAVMMP2
SCHEMBL7415995 0.86 ITGB3 (0.51) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL7695355 0.86 BCL2 (0.49) ITGB3ITGA2B

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-6344484-B1 TREATMENT OF TUMOR GROWTH, METASTASIS, OSTEOPOROSIS, RESTENOSIS, INFLAMMATION, MACULAR DEGENERATION, DIABETIC RETINOPATHY, AND RHEUMATOID ARTHRITIS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-02-05 US claimed
EP-1159262-A1 TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-12-05 EP claimed
WO-2000047552-A1 TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO claimed