SCHEMBL6807080

SCHEMBL6807080

Nc1cccc(Sc2ncnc3c2ncn3C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.40
ITGAV P06756 7/20 0.40
ALDH1A1 P00352 1/20 0.39
DOT1L Q8TEK3 1/20 0.38
ITGA2B P08514 4/20 0.37
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MMP13 P45452 2/20 0.36

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
SCHEMBL4640795 0.91 SLC29A1 (0.38) ITGB3ITGAVALDH1A1DOT1LCYP1A2
SCHEMBL4641344 0.86 ITGB3 (0.48) ITGB3ITGAV
SCHEMBL6807083 0.82 CASP1 (0.37) DOT1L
SCHEMBL5840142 0.79 HDAC6 (0.47) ITGB3ITGAVPPARGPPARA
SCHEMBL6807305 0.78 SYK (0.36) DOT1L
SCHEMBL4641533 0.78 ITGB3 (0.42) ITGB3ITGAV
SCHEMBL4640796 0.77 ITGB3 (0.47) ITGB3ITGAV
SCHEMBL4640793 0.77 ITGB3 (0.47) ITGB3ITGAV
SCHEMBL4641283 0.75 ITGB3 (0.46) ITGB3ITGAV
SCHEMBL4641583 0.74 ITGB3 (0.55) ITGB3ITGAVITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723727-B1 VITRONECTIN RECEPTOR ANTAGONISTS; INHIBITORS OF BONE RESORPTION; OSTEOPOROSIS HOECHST AKTIENGESELLSCHAFT (DE) 2004-04-20 US disclosed