SCHEMBL8399643

SCHEMBL8399643

N=C(N)c1ccc(C2C(=O)N(CCC(=O)O)Cc3ccccc3N2NC=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.41
ITGA2B P08514 16/20 0.41
ITGAV P06756 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
F2 P00734 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
SCHEMBL8403456 0.91 ITGB3 (0.40) ITGB3ITGA2BITGAV
SCHEMBL8898789 0.75 F2 (0.39) ITGB3ITGA2BITGAVF2
SCHEMBL8899096 0.74 ITGB3 (0.39) ITGB3ITGA2BF2
SCHEMBL8401186 0.74 ITGB3 (0.45) ITGB3ITGA2BITGAVF2
SCHEMBL8398958 0.70 ITGB3 (0.57) ITGB3ITGA2BITGAV
SCHEMBL8519494 0.69 ITGB3 (0.39) ITGB3ITGA2BITGAVKDM4EF2
SCHEMBL8896265 0.67 ITGB3 (0.45) ITGB3ITGA2BITGAVF2
SCHEMBL8402359 0.67 KDM4E (0.36) ITGB3ITGA2BITGAVKDM4EMEN1
SCHEMBL8401220 0.66 ITGB3 (0.43) ITGB3ITGA2BITGAVF2
SCHEMBL8401242 0.65 ITGB3 (0.51) ITGB3ITGA2BITGAVF2

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
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed