SCHEMBL7449580

SCHEMBL7449580

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NC(C)(C)C(=O)NCCCN(C)C)oc(=O)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.55
ELANE P08246 3/20 0.55
TSHR P16473 3/20 0.34
TP53 P04637 2/20 0.34
MKNK2 Q9HBH9 1/20 0.34
LCK P06239 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BRD4 O60885 1/20 0.31
KDM4E B2RXH2 1/20 0.31
BDKRB2 P30411 1/20 0.31
HTT P42858 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 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
SCHEMBL7449565 0.86 ELANE (0.58) CTRB1ELANELCK
SCHEMBL6640855 0.83 CTRB1 (0.57) CTRB1ELANEALDH1A1SMN1; SMN2NPSR1
SCHEMBL6638394 0.82 CTRB1 (0.56) CTRB1ELANELCKALDH1A1HPGD
SCHEMBL6499069 0.82 ELANE (0.68) CTRB1ELANELCKMEN1KMT2A
SCHEMBL6804745 0.80 ELANE (0.40) CTRB1ELANEALDH1A1HPGDMEN1
SCHEMBL6638795 0.79 ELANE (0.61) CTRB1ELANELCKL3MBTL1BRD4
SCHEMBL6636149 0.79 CTRB1 (0.53) CTRB1ELANELCKCCNCCDK8
SCHEMBL7442928 0.79 ELANE (0.52) CTRB1ELANEMKNK2BRD4CCNC
SCHEMBL6640343 0.79 CTRB1 (0.55) CTRB1ELANEALDH1A1MEN1KMT2A
SCHEMBL7441628 0.77 ELANE (0.65) CTRB1ELANELCK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996037485-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1996-11-28 WO disclosed