SCHEMBL7986455

SCHEMBL7986455

CCOC(=O)Cn1cc2c(n1)CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.43
MAPK1 P28482 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL7988835 0.90 KMT2A (0.42) ADORA1MAPK1KMT2AALDH1A1LMNA
SCHEMBL7974848 0.88 ADORA1 (0.56) ADORA1MAPK1KMT2AHRH2HRH1
SCHEMBL7989135 0.86 ADORA1 (0.48) ADORA1MAPK1KMT2AHRH2HRH1
SCHEMBL7988287 0.86 ADORA1 (0.48) ADORA1KMT2AITGB3ITGA2BMAPT
SCHEMBL7988765 0.84 ADORA1 (0.46) ADORA1KMT2AHRH2HRH1ITGB3
SCHEMBL7988313 0.84 ITGB3 (0.59) ADORA1MAPK1KMT2AHRH2HRH1
SCHEMBL7988759 0.82 KMT2A (0.50) ADORA1MAPK1KMT2AALDH1A1LMNA
SCHEMBL7988229 0.82 ADORA1 (0.51) ADORA1KMT2AHRH2HRH1ITGB3
SCHEMBL7975357 0.82 ITGB3 (0.42) ADORA1MAPK1KMT2AMEN1LMNA
SCHEMBL7975356 0.82 ITGB3 (0.42) ADORA1MAPK1KMT2AMEN1LMNA

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-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed