SCHEMBL6875283

SCHEMBL6875283

N=C(N)Nc1nc(C(=O)Nc2ccc(OCC(=O)O)cc2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
LMNA P02545 5/20 0.44
ALDH1A1 P00352 4/20 0.44
RAB9A P51151 3/20 0.44
ITGB3 P05106 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGAV P06756 1/20 0.44
ITGA2B P08514 1/20 0.44
ITGB5 P18084 1/20 0.44
GAA P10253 1/20 0.44
ALOX12 P18054 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
MAPK1 P28482 2/20 0.43
HSP90AA1 P07900 1/20 0.43
GALR3 O60755 1/20 0.42
NPC1 O15118 3/20 0.42
KDM4E B2RXH2 3/20 0.42
RECQL P46063 2/20 0.42
PTPN7 P35236 2/20 0.42
PTPN12 Q05209 2/20 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
Hydrochloric Acid SCHEMBL6884425 0.99 MAPT (0.43) MAPTLMNAALDH1A1RAB9AITGB3
SCHEMBL6875272 0.81 ITGB3 (0.55) MAPTLMNAALDH1A1RAB9AITGB3
SCHEMBL6875823 0.80 RAB9A (0.50) MAPTLMNAALDH1A1RAB9AGAA
Hydrochloric Acid SCHEMBL6884421 0.80 ITGB3 (0.54) MAPTLMNAALDH1A1RAB9AITGB3
SCHEMBL11787863 0.79 ALDH1A1 (0.58) MAPTALDH1A1ITGB3ITGB1ITGAV
SCHEMBL6882978 0.79 ITGB3 (0.45) MAPTLMNAALDH1A1RAB9AITGB3
SCHEMBL6875704 0.78 MAPT (0.65) MAPTLMNAALDH1A1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6873200 0.78 ITGB3 (0.44) MAPTLMNAALDH1A1RAB9AITGB3
Hydrochloric Acid SCHEMBL6884171 0.78 MAPT (0.64) MAPTLMNAALDH1A1RAB9ASMN1; SMN2
SCHEMBL4874372 0.77 L3MBTL1 (0.55) MAPTLMNASMN1; SMN2KDM4EKMT2A

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