SCHEMBL7469287

SCHEMBL7469287

O=C(CCNC(=O)c1ccc(F)c(N2CCC(Nc3ncccn3)CC2)c1)ONS(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.45
ITGAV P06756 8/20 0.45
ITGA2B P08514 8/20 0.45
VDR P11473 1/20 0.38
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
EPHX2 P34913 1/20 0.35
RBP4 P02753 1/20 0.35
TTR P02766 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
SCHEMBL383238 0.94 ITGB3 (0.52) ITGB3ITGAVITGA2BVDRKDM4E
SCHEMBL381838 0.90 ITGB3 (0.51) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL382643 0.89 ITGB3 (0.52) ITGB3ITGAVITGA2BVDRKDM4E
SCHEMBL383051 0.88 ITGB3 (0.54) ITGB3ITGAVITGA2BHTT
SCHEMBL382763 0.87 ITGB3 (0.48) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL7469099 0.87 KAT6A (0.41) ITGB3ITGAVITGA2BEPHX2
SCHEMBL7457979 0.87 SFRP1 (0.42) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL7470713 0.86 KAT6A (0.39) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL7464227 0.86 ITGB3 (0.37) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL382204 0.86 ITGB3 (0.39) ITGB3ITGAVITGA2BKDM4EHTT

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 2 patents. 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 claimed
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