SCHEMBL7469099

SCHEMBL7469099

O=C(CCNC(=O)c1cc(N2CCC(Nc3ncccn3)CC2)ccc1F)ONS(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 7/20 0.41
ITGB3 P05106 3/20 0.38
ITGAV P06756 3/20 0.38
ITGA2B P08514 3/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.36
SFRP1 Q8N474 1/20 0.36
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL382763 0.88 ITGB3 (0.48) ITGB3ITGAVITGA2BSFRP1DRD2
SCHEMBL7457979 0.87 SFRP1 (0.42) KAT6AITGB3ITGAVITGA2BALDH1A1
SCHEMBL7470713 0.87 KAT6A (0.39) KAT6AITGB3ITGAVITGA2BSFRP1
SCHEMBL7469287 0.87 ITGB3 (0.45) ITGB3ITGAVITGA2BEPHX2
SCHEMBL383238 0.85 ITGB3 (0.52) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL6501603 0.85 RORC (0.37) KAT6AITGB3ITGAVITGA2BALDH1A1
SCHEMBL7464227 0.85 ITGB3 (0.37) ITGB3ITGAVITGA2BLMNADRD2
SCHEMBL382204 0.85 ITGB3 (0.39) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL7053630 0.85 ITGB3 (0.55) ITGB3ITGAVITGA2BALDH1A1SMN1; SMN2
SCHEMBL7469399 0.85 SFRP1 (0.40) ITGB3ITGAVITGA2BSFRP1DRD2

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
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 EP disclosed