SCHEMBL4649547

SCHEMBL4649547

Oc1ccc2ccc(OCCBr)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.45
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALOX5 P09917 1/20 0.41
GAA P10253 4/20 0.40
MGAM O43451 3/20 0.40
SI P14410 3/20 0.40
MGAM2 Q2M2H8 3/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL8146789 0.84 NPC1 (0.66) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6048619 0.82 MEN1 (0.58) MAPTNPC1RAB9AKDM4EMAPK1
SCHEMBL2203164 0.81 NPC1 (0.79) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7979973 0.80 RAB9A (0.57) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL16541365 0.80 CA12 (0.49) MAPTNPC1RAB9AKDM4EMAPK1
SCHEMBL17073991 0.79 NPC1 (0.59) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1008979 0.78 LTA4H (0.55) CYP1A2ESR1ESR2MEN1KMT2A
SCHEMBL9750796 0.78 L3MBTL1 (0.51) MAPTNPC1KDM4EESR1ESR2
SCHEMBL6048620 0.78 NR5A1 (0.67) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6048615 0.78 NR5A1 (0.67) MAPTNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961738-A1 New compounds with antiglutamatergic properties and uses thereof Faust Pharmaceuticals (FR) 2008-08-27 EP disclosed
EP-1961738-A1 New compounds with antiglutamatergic properties and uses thereof Faust Pharmaceuticals (FR) 2008-08-27 EP disclosed
WO-2008098751-A1 NEW COMPOUNDS WITH ANTIGLUTAMATERGIC PROPERTIES AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2008-08-21 WO disclosed
WO-2008098751-A1 NEW COMPOUNDS WITH ANTIGLUTAMATERGIC PROPERTIES AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2008-08-21 WO disclosed