SCHEMBL8463177

SCHEMBL8463177

O=C(Nc1c(F)cc(F)cc1F)c1ccc(C2(F)CC2c2ccc(Br)c(Br)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 2/20 0.35
MAOB P27338 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 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
SCHEMBL8042055 0.84 S1PR4 (0.40) HTTTP53
SCHEMBL8463202 0.81 MAPT (0.43) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8034546 0.79 RXRA (0.36) KDM1ARCOR1HPGDHTTTP53
SCHEMBL8036387 0.77
SCHEMBL8024723 0.73 ALOX15 (0.36) KDM1AALOX15
SCHEMBL8055080 0.68 GPBAR1 (0.35) ALDH1A1KDM1ARCOR1
SCHEMBL17803643 0.65 RAB9A (0.58) NPC1RAB9ASMN1; SMN2HPGDHDAC8
SCHEMBL8461900 0.62 TSHR (0.46) NPC1RAB9AALOX15NPSR1MEN1
SCHEMBL13885119 0.62 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8036369 0.60 MAOB (0.42) MAOBKDM1ATP53

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
EP-0915831-A1 NOVEL METHOD FOR PREPARING AROMATIC AMIDES AND INTERMEDIATES THEREFOR Hoechst Schering AgrEvo S.A. (FR) 1999-05-19 EP disclosed
WO-1998003470-A1 NOVEL METHOD FOR PREPARING AROMATIC AMIDES AND INTERMEDIATES THEREFOR HOECHST SCHERING AGREVO S.A. (FR) 1998-01-29 WO disclosed