SCHEMBL4745202

SCHEMBL4745202

O=c1c(Br)c(Br)cnn1-c1ccccc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
ALDH1A1 P00352 4/20 0.61
MAPT P10636 4/20 0.61
HTT P42858 4/20 0.61
NPSR1 Q6W5P4 4/20 0.61
LMNA P02545 3/20 0.61
RXFP1 Q9HBX9 2/20 0.61
PAX8 Q06710 2/20 0.61
XBP1 P17861 3/20 0.50
S1PR4 O95977 1/20 0.45
HPGD P15428 1/20 0.45
S1PR1 P21453 1/20 0.45
MAPK14 Q16539 1/20 0.43
GAA P10253 1/20 0.42
SCN9A Q15858 8/20 0.42
SCN5A Q14524 1/20 0.41
KCNN4 O15554 1/20 0.40
SCN10A Q9Y5Y9 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
SCHEMBL7528525 0.88 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1750846 0.81 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4743412 0.76 RAB9A (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL29703277 0.74 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL31275836 0.74 PTGS1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL19000700 0.74 RAB9A (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL30777070 0.74 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL27172610 0.74 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL4187625 0.73 SMN1; SMN2 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4191812 0.73 RAB9A (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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
WO-2008101615-A1 METHOD FOR PRODUCING 4,5-DIHALOGEN-2-ARYL-2H-PYRIDAZIN-3-ONES BAYER ANIMAL HEALTH GMBH (DE) 2008-08-28 WO disclosed