SCHEMBL8550744

SCHEMBL8550744

COc1cc2c(cc1OC)CN(CCC1COc3ccccc3N1S(=O)(=O)c1ccc(C)cc1)CC2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.45
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
PKM P14618 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ABCB1 P08183 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ABCC1 P33527 1/20 0.41

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
Oxalic Acid SCHEMBL9190729 0.96 NPC1 (0.49) NPC1LMNASMN1; SMN2ALDH1A1GRIN1
SCHEMBL9190735 0.83 ABCB1 (0.46) ALDH1A1GRIN1GRIN2BNPSR1MAPT
SCHEMBL8541700 0.76 LMNA (0.64) NPC1LMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL8548625 0.75 LMNA (0.63) NPC1LMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL8542630 0.73 LMNA (0.62) LMNAALDH1A1GRIN1GRIN2BNPSR1
SCHEMBL8546477 0.71 LMNA (0.51) LMNAALDH1A1NPSR1MAPTMEN1
SCHEMBL8543224 0.70 LMNA (0.65) NPC1LMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL12719840 0.70 PKM (0.56) LMNAALDH1A1PKMNPSR1MEN1
Hydrochloric Acid SCHEMBL1628132 0.69 PKM (0.55) LMNAALDH1A1PKMNPSR1MEN1
SCHEMBL8543754 0.68 LMNA (0.64) LMNASMN1; SMN2ALDH1A1NPSR1GAA

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