SCHEMBL7441463

SCHEMBL7441463

CCC1(CC(=O)O)C(=O)N(CCc2ccccc2)Cc2cc(NCC(=O)c3ccc(C=NNC(=O)OCc4ccccc4)cc3)ccc2N1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.40
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRK2 P25098 1/20 0.32
GRK5 P34947 1/20 0.32
GRK3 P35626 1/20 0.32
PTGES O14684 3/20 0.31
PTGS2 P35354 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 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
SCHEMBL7441471 0.81 MIF (0.40) MIFKMT2AMAPTMEN1ALDH1A1
SCHEMBL7439587 0.76 BRD4 (0.39) ITGB3ITGA2BBRD4
SCHEMBL7401123 0.72 MIF (0.46) MIFKMT2AMAPTMEN1KDM4E
SCHEMBL7398372 0.70 ITGB3 (0.40) ITGB3ITGA2BBRD4
SCHEMBL7396918 0.67 ITGB3 (0.68) MIFITGB3ITGA2B
SCHEMBL7433070 0.67 ITGB3 (0.68) MIFITGB3ITGA2B
SCHEMBL7400579 0.66 ITGB3 (0.43) MIFKMT2AMAPTMEN1KDM4E
SCHEMBL7400582 0.66 ITGB3 (0.43) MIFKMT2AMAPTMEN1KDM4E
SCHEMBL6949755 0.65 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL7445076 0.65 ITGB3 (0.56) MIFITGB3ITGA2B

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
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed