SCHEMBL8543754

SCHEMBL8543754

COc1cc2c(cc1OC)CCN(CCC1COc3ccccc3N1C(=O)c1cccc(C(F)(F)F)c1)CC2

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
GRIN2C Q14957 1/20 0.47
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
MTNR1B P49286 2/20 0.41
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NR3C1 P04150 2/20 0.37
NR3C2 P08235 2/20 0.37
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL8542630 0.96 LMNA (0.62) LMNAGRIN2CALDH1A1NPSR1POLB
SCHEMBL8546477 0.88 LMNA (0.51) LMNAGRIN2CALDH1A1NPSR1KMT2A
SCHEMBL8544144 0.82 LMNA (0.53) LMNANPSR1POLBKMT2ASMN1; SMN2
SCHEMBL7305217 0.80 LMNA (0.72) LMNAALDH1A1NPSR1POLBGAA
SCHEMBL7302805 0.79 LMNA (0.71) LMNAALDH1A1NPSR1POLBGAA
SCHEMBL7299161 0.79 LMNA (0.71) LMNAALDH1A1NPSR1POLBGAA
SCHEMBL7311376 0.78 LMNA (0.54) LMNA
SCHEMBL7304698 0.75 LMNA (0.47) LMNAPOLBL3MBTL1KMT2ASMN1; SMN2
SCHEMBL7301526 0.75 LMNA (0.62) LMNAGRIN2CALDH1A1NPSR1POLB
SCHEMBL7304570 0.74 LMNA (0.61) LMNAGRIN2CALDH1A1NPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0614893-B1 Benzoxazine derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1998-05-27 EP disclosed
US-5447928-A Antiischemic agents and nervous system disorders SYNTHELABO (FR) 1995-09-05 US disclosed
EP-0614893-A1 Benzoazine derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1994-09-14 EP disclosed