SCHEMBL8518520

SCHEMBL8518520

CC(C)(C)OC(=O)NN=Cc1ccc(C2(CC(=O)O)CN(CCc3ccccc3)C(=O)c3ccccc3N2C(N)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
MIF P14174 2/20 0.38
RAB9A P51151 7/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
NPC1 O15118 5/20 0.38
KMT2A Q03164 5/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.38
TRPM5 Q9NZQ8 1/20 0.33
ACHE P22303 1/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL8518279 0.87 AKT1 (0.37) RAB9ANPC1KMT2AALDH1A1TP53
SCHEMBL7397295 0.73 RAB9A (0.39) MAPTMIFRAB9ASMN1; SMN2NPC1
SCHEMBL7395503 0.68 ALDH1A1 (0.37) MAPTKMT2AKDM4EALDH1A1LMNA
SCHEMBL8401237 0.67 CACNA1G (0.35) MAPTSMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL8518880 0.66 NAMPT (0.45) KMT2AALDH1A1MEN1
SCHEMBL12979794 0.65 MAPT (0.76) MAPTMIFRAB9ASMN1; SMN2NPC1
SCHEMBL6423387 0.65 MAPT (0.76) MAPTMIFRAB9ASMN1; SMN2NPC1
SCHEMBL3266677 0.65 MAPT (0.76) MAPTMIFRAB9ASMN1; SMN2NPC1
SCHEMBL6444624 0.63 MAPT (0.72) MAPTMIFRAB9ASMN1; SMN2NPC1
SCHEMBL8518521 0.62 RAB9A (0.41) MAPTMIFRAB9ASMN1; SMN2NPC1

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