SCHEMBL7917671

SCHEMBL7917671

O=C(O)CC1Nc2ccc(I)cc2CNC1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.50
ITGAV P06756 15/20 0.50
ITGA2B P08514 10/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTPRA P18433 1/20 0.34

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
SCHEMBL7917665 1.00 ITGB3 (0.50) ITGB3ITGAVITGA2BKDM4EMEN1
SCHEMBL7917615 0.85 ITGB3 (0.41) ITGB3ITGAVKDM4EMEN1ALDH1A1
SCHEMBL7917695 0.84 ITGB3 (0.50) ITGB3ITGAVITGA2BKDM4EMEN1
SCHEMBL7917703 0.84 ITGB3 (0.50) ITGB3ITGAVITGA2BKDM4EMEN1
SCHEMBL7075297 0.84 ITGB3 (0.57) ITGB3ITGAVITGA2BKDM4EMAPT
SCHEMBL7398006 0.84 ITGB3 (0.50) ITGB3ITGAVITGA2B
SCHEMBL7397999 0.84 ITGB3 (0.50) ITGB3ITGAVITGA2B
SCHEMBL7446195 0.83 ITGB3 (0.49) ITGB3ITGAVITGA2BKDM4EMEN1
SCHEMBL7916963 0.81 ITGB3 (0.51) ITGB3ITGAVITGA2BKDM4EMEN1
SCHEMBL7916970 0.81 ITGB3 (0.51) ITGB3ITGAVITGA2BKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6225465-B1 REACTING BENZOAZEPINE OR BENZODIAZEPINE DERIVATIVE WITH PROTECTED AMINE IN PRESENCE OF PALLADIUM CATALYST IN PRESENCE OF CARBON MONOXIDE, REMOVING PROTECTING GROUPS SMITHKLINE BEECHAM PLC (GB) 2001-05-01 US disclosed
US-6159964-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-12 US disclosed
EP-1019383-A2 PROCESS FOR THE AMINOCARBONYLATION OF BENZAZEPINES AND BENZODIAZEPINES SMITHKLINE BEECHAM PLC (GB) 2000-07-19 EP disclosed
EP-0906103-A4 1999-04-07 EP disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
WO-1997024336-A2 PROCESS FOR THE AMINOCARBONYLATION OF BENZAZEPINES AND BENZODIAZEPINES SMITHKLINE BEECHAM PLC (GB) 1997-07-10 WO disclosed