SCHEMBL8329019

SCHEMBL8329019

CN(Cc1nc2cc(F)c(F)cc2[nH]1)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
PDE10A Q9Y233 1/20 0.40
GRIN2B Q13224 1/20 0.39
PKM P14618 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7330117 0.86 RXFP1 (0.50) ITGB3ITGAVTDP1SMN1; SMN2MAPT
SCHEMBL6951310 0.83 ITGB3 (0.48) ITGB3ITGAVSMN1; SMN2MAPTMAPK1
SCHEMBL8323304 0.83 PTGDR2 (0.50) ITGB3ITGAVTDP1GRIN2BPTGDR2
SCHEMBL16186536 0.78 CACNA1B (0.58) ITGB3ITGAVTDP1MAPTPDE10A
SCHEMBL8363353 0.78 NPC1 (0.37) ITGB3ITGAVTDP1SMN1; SMN2MAPT
SCHEMBL8324887 0.77 CHRNB2 (0.41) SMN1; SMN2MAPTMAPK1TSHRATM
SCHEMBL6945050 0.77 ITGB3 (0.47) ITGB3ITGAVTDP1MAPTMAPK1
SCHEMBL8323937 0.77 ITGB3 (0.45) ITGB3ITGAVTDP1GRIN2BLMNA
SCHEMBL6951174 0.77 PRMT5 (0.46) ITGB3ITGAVTDP1PKMGAA
SCHEMBL7331804 0.77 L3MBTL1 (0.40) TDP1SMN1; SMN2GRIN2BPKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed