SCHEMBL5316600

SCHEMBL5316600

CCOC(=O)CC(Br)C(=O)c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ELANE P08246 1/20 0.42
CHRNB2 P17787 1/20 0.42
SLC6A2 P23975 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42

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
SCHEMBL13240400 0.83 KMT2A (0.51) LMNANPC1SMN1; SMN2MAPTTSHR
SCHEMBL24508981 0.82 LMNA (0.52) LMNANPC1SMN1; SMN2POLBTDP1
SCHEMBL14495066 0.82 LMNA (0.47) LMNANPC1SMN1; SMN2POLBTDP1
SCHEMBL5055096 0.80 CES2 (0.51) LMNANPC1SMN1; SMN2CES2CES1
SCHEMBL13116531 0.79 CYP4F2 (0.36) SMN1; SMN2MAPTTSHRALDH1A1SLC6A2
SCHEMBL2087207 0.77 MAOB (0.40) LMNASMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL3730123 0.76 CES2 (0.54) LMNANPC1SMN1; SMN2CES2CES1
SCHEMBL1338330 0.76 LMNA (0.52) LMNANPC1SMN1; SMN2POLBTDP1
SCHEMBL1167035 0.76 NPC1 (0.55) LMNANPC1SMN1; SMN2POLBTDP1
SCHEMBL10604429 0.75 LMNA (0.51) LMNANPC1SMN1; SMN2POLBTDP1

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-2007062797-A1 AMINO-SUBSTITUTED AZO-HETEROCYCLIC COMPOUNDS FOR TREATING INFLAMMATORY CONDITIONS 7TM PHARMA A/S (DK) 2007-06-07 WO disclosed