SCHEMBL8518521

SCHEMBL8518521

CCc1ccccc1N1CC(CC(=O)Oc2ccc(C=NNC(=O)OC(C)(C)C)cc2)N(C(N)=O)c2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.41
NPC1 O15118 8/20 0.41
KMT2A Q03164 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
MIF P14174 1/20 0.38
RECQL P46063 2/20 0.38
HTT P42858 1/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL8518281 0.85 HDAC1 (0.39) ALDH1A1LMNAPOLB
SCHEMBL7397295 0.68 RAB9A (0.39) RAB9ANPC1KMT2ASMN1; SMN2MAPT
SCHEMBL3266677 0.63 MAPT (0.76) RAB9ANPC1KMT2ASMN1; SMN2MAPT
SCHEMBL12979794 0.63 MAPT (0.76) RAB9ANPC1KMT2ASMN1; SMN2MAPT
SCHEMBL6423387 0.63 MAPT (0.76) RAB9ANPC1KMT2ASMN1; SMN2MAPT
SCHEMBL8518520 0.62 MAPT (0.39) RAB9ANPC1KMT2ASMN1; SMN2MAPT
SCHEMBL2488962 0.62 MIF (0.74) RAB9ANPC1KMT2ASMN1; SMN2MAPT
SCHEMBL2488965 0.62 MIF (0.74) RAB9ANPC1KMT2ASMN1; SMN2MAPT
SCHEMBL6476485 0.62 MIF (0.65) RAB9ANPC1KMT2ASMN1; SMN2MAPT
SCHEMBL6476482 0.62 MIF (0.65) RAB9ANPC1KMT2ASMN1; SMN2MAPT

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