SCHEMBL8399657

SCHEMBL8399657

NN=Cc1ccc(C(=O)C2C(=O)N(CCC(=O)O)Cc3ccccc3N2N)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MME P08473 2/20 0.33
ACE P12821 2/20 0.33
ITGB3 P05106 3/20 0.31
ITGA2B P08514 3/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL8403464 0.90 ACE (0.34) KDM4EALOX15TSHRSIRT1MAPT
SCHEMBL8398839 0.67 PARP1 (0.41) KDM4EALOX15TSHRSIRT1MAPT
SCHEMBL8402362 0.66 PARP1 (0.40) ITGB3ITGA2BALDH1A1
SCHEMBL6678145 0.66 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL8399640 0.65 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7595704 0.63 ITGB3 (0.54) MAPTITGB3ITGA2B
SCHEMBL8399643 0.63 ITGB3 (0.41) KDM4EALOX15TSHRSIRT1MAPT
SCHEMBL7444076 0.62 ITGB3 (0.48) ITGB3ITGA2BALDH1A1
SCHEMBL7396984 0.62 ITGB3 (0.75) KDM4EITGB3ITGA2BALDH1A1
SCHEMBL315339 0.62 KDM4E (1.00) KDM4EALOX15TSHRSIRT1MAPT

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