SCHEMBL4740875

SCHEMBL4740875

O=c1c(Br)c(Br)cnn1-c1cccc(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.67
NPC1 O15118 9/20 0.67
ALDH1A1 P00352 7/20 0.67
SMN1; SMN2 Q16637 7/20 0.67
LMNA P02545 5/20 0.67
MAPT P10636 4/20 0.67
HTT P42858 4/20 0.67
NPSR1 Q6W5P4 4/20 0.67
PAX8 Q06710 3/20 0.67
RXFP1 Q9HBX9 2/20 0.67
XBP1 P17861 3/20 0.55
MAPK14 Q16539 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.43
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
S1PR4 O95977 1/20 0.40
HPGD P15428 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
SCHEMBL1749910 0.84 RAB9A (0.60) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4191587 0.83 NPC1 (0.69) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL31278205 0.82 RAB9A (0.68) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3034789 0.82 RAB9A (0.68) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3039672 0.81 MAPT (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4187625 0.81 SMN1; SMN2 (0.71) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4743412 0.80 RAB9A (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4191812 0.80 RAB9A (0.60) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3028836 0.79 ALDH1A1 (0.63) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL2894395 0.78 ALDH1A1 (0.66) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA

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