SCHEMBL8130261

SCHEMBL8130261

CCOC(=O)Cn1cc2c(n1)CCN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(SC=N)cc1C)C2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.58
ITGA2B P08514 2/20 0.58
CCR3 P51677 4/20 0.34
HCRTR2 O43614 5/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 3/20 0.32
LMNA P02545 1/20 0.32
WDR5 P61964 1/20 0.32
HCRTR1 O43613 3/20 0.32
P2RX7 Q99572 1/20 0.31

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
SCHEMBL8132941 0.94 ITGB3 (0.55) ITGB3ITGA2BCCR3HCRTR2RAB9A
SCHEMBL8134308 0.94 ITGB3 (0.55) ITGB3ITGA2BCCR3HCRTR2RAB9A
SCHEMBL8133316 0.93 ITGB3 (0.54) ITGB3ITGA2BCCR3HCRTR2RAB9A
SCHEMBL8137169 0.89 ITGB3 (0.56) ITGB3ITGA2BCCR3HCRTR2RAB9A
SCHEMBL7989513 0.88 ITGB3 (0.71) ITGB3ITGA2BCCR3HCRTR2RAB9A
SCHEMBL7988230 0.86 ITGB3 (0.58) ITGB3ITGA2BCCR3HCRTR2RAB9A
SCHEMBL7986442 0.86 ITGB3 (0.63) ITGB3ITGA2BCCR3HCRTR2RAB9A
Trifluoroacetic Acid SCHEMBL7993134 0.84 ITGB3 (0.68) ITGB3ITGA2BCCR3HCRTR2KMT2A
SCHEMBL7986245 0.83 ITGB3 (0.69) ITGB3ITGA2BCCR3HCRTR2LMNA
SCHEMBL7989233 0.83 ITGB3 (0.69) ITGB3ITGA2BCCR3HCRTR2KMT2A

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-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed