SCHEMBL3366339

SCHEMBL3366339

O=CC(Br)(Br)c1ccccc1OC(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.45
SLC22A12 Q96S37 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.36
PPARG P37231 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 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
SCHEMBL3366374 0.82 IRAK4 (0.42) SMN1; SMN2L3MBTL1KMT2APTGES2MAPT
SCHEMBL3364583 0.76 CA1 (0.46) SMN1; SMN2HTTL3MBTL1KMT2AMAPT
SCHEMBL908602 0.73 ALDH1A1 (0.55) DRD1SMN1; SMN2HTTPOLBL3MBTL1
SCHEMBL12203322 0.73 SLC22A12 (0.45) DRD1SLC22A12KMT2AMAPTKDM4E
SCHEMBL29538287 0.73 ALDH1A1 (0.55) DRD1SMN1; SMN2HTTPOLBL3MBTL1
SCHEMBL3362514 0.73 LMNA (0.56) HTTKMT2ALMNAGAAHPGD
SCHEMBL13363794 0.73 SLC22A12 (0.42) DRD1SLC22A12SMN1; SMN2HTTKMT2A
SCHEMBL3362504 0.71 ALDH1A1 (0.44) SMN1; SMN2HTTL3MBTL1KMT2AMAPT
SCHEMBL4654255 0.71 DRD1 (0.48) DRD1SLC22A12SMN1; SMN2HTTPOLB
SCHEMBL16579366 0.70 SLC22A12 (0.43) DRD1SLC22A12SMN1; SMN2HTTL3MBTL1

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed