SCHEMBL7413033

SCHEMBL7413033

N#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(OCCCONC(=N)N)cc2)C(=O)OC(=O)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
HSD11B1 P28845 1/20 0.38
F2 P00734 7/20 0.36
TMPRSS6 Q8IU80 6/20 0.36
ITGB3 P05106 5/20 0.35
ITGA2B P08514 5/20 0.35
ITGB1 P05556 1/20 0.35
ITGA5 P08648 1/20 0.35
F10 P00742 1/20 0.35
KCNA5 P22460 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
ITGAV P06756 3/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1B Q00975 1/20 0.32

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 SCHEMBL7413027 0.91 MAPT (0.45) MAPTBCL2L1MCL1HSD11B1F2
SCHEMBL7422260 0.89 MAPT (0.48) MAPTBCL2L1MCL1HSD11B1ITGB3
SCHEMBL7414434 0.85 F2 (0.42) F2TMPRSS6ITGB3ITGA2BKCNA5
SCHEMBL7415327 0.84 ITGB1 (0.42) F2TMPRSS6ITGB3ITGA2BITGB1
SCHEMBL7699209 0.84 F2 (0.42) F2TMPRSS6ITGB3ITGA2BKCNA5
SCHEMBL7423552 0.84 MAPT (0.41) MAPTBCL2L1MCL1F2TMPRSS6
SCHEMBL7417592 0.83 ITGB3 (0.49) F2TMPRSS6ITGB3ITGA2BKCNA5
SCHEMBL7415413 0.83 TMPRSS6 (0.38) BCL2L1MCL1F2TMPRSS6ITGB3
SCHEMBL7408399 0.82 F2 (0.47) F2TMPRSS6ITGB3ITGA2BMMP2
SCHEMBL7415235 0.82 KCNA5 (0.44) F2TMPRSS6ITGB3ITGA2BKCNA5

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 disclosed
EP-1159262-A1 TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-12-05 EP disclosed
WO-2000047552-A1 TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed