SCHEMBL6882965

SCHEMBL6882965

NC(N)=Nc1ncc(C(=O)Nc2ccc(OCC(=O)O)cc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.56
ITGB1 P05556 2/20 0.56
ITGAV P06756 2/20 0.56
ITGA2B P08514 2/20 0.56
ITGB5 P18084 2/20 0.56
MAPT P10636 5/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 2/20 0.43
PTPN7 P35236 1/20 0.43
PTPN12 Q05209 1/20 0.43
NPC1 O15118 3/20 0.41
ACR P10323 1/20 0.41
RAB9A P51151 1/20 0.40
PLAU P00749 1/20 0.39
POLB P06746 1/20 0.39
PTPN1 P18031 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.38

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
Hydrochloric Acid SCHEMBL6873194 0.99 ITGB3 (0.55) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL6882978 0.81 ITGB3 (0.45) ITGB3ITGB1ITGAVITGA2BITGB5
Hydrochloric Acid SCHEMBL6873200 0.80 ITGB3 (0.44) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL6875272 0.78 ITGB3 (0.55) ITGB3ITGB1ITGAVITGA2BITGB5
Hydrochloric Acid SCHEMBL6884421 0.77 ITGB3 (0.54) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL22192690 0.71 KMT2A (0.72) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL11787863 0.70 ALDH1A1 (0.58) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL8713016 0.68 F2 (0.57) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL8715677 0.68 PLAU (0.48) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL6875704 0.67 MAPT (0.65) MAPTKMT2AMEN1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297266-B1 INHIBIT THE BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES OF CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMANN-LA ROCHE INC. 2001-10-02 US claimed
EP-1123283-B1 THIAZOLE-DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-05-06 EP disclosed
US-6297266-B1 INHIBIT THE BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES OF CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMANN-LA ROCHE INC. 2001-10-02 US disclosed
EP-1123283-A1 THIAZOLE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 EP disclosed
WO-2000024724-A1 THIAZOLE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-05-04 WO disclosed