SCHEMBL13788857

SCHEMBL13788857

CC(C)(C)Nc1ccc(Br)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 3/20 0.37
HSP90AA1 P07900 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.34
APP P05067 1/20 0.33
BCL2L1 Q07817 1/20 0.33

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
SCHEMBL23092052 0.81 RAB9A (0.44) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL14864698 0.81 SIGMAR1 (0.45) NPC1RAB9AHPGDIDO1ALDH1A1
SCHEMBL19194362 0.79 MAPT (0.43) ALOX15NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL12036063 0.79 MAPT (0.39) NPC1RAB9ASMN1; SMN2IDO1ALDH1A1
SCHEMBL10407967 0.79 PTGDR2 (0.39) ALOX15NPC1RAB9AIDO1ALDH1A1
SCHEMBL13788839 0.79 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL12883439 0.79 LMNA (0.42) ALOX15NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1957518 0.79 AAK1 (0.39) IDO1ALDH1A1MEN1KMT2AGAA
SCHEMBL10082835 0.78 IDO1 (0.42) NPC1RAB9ASMN1; SMN2IDO1ALDH1A1
SCHEMBL29612925 0.75 HDAC1 (0.42) ALOX15IDO1ALDH1A1MAPK1TDP1

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
US-7560565-B2 Method for preparing derivatives of 3-hydroxypicolinic acid BAYER CROPSCIENCE SA (FR) 2009-07-14 US disclosed