SCHEMBL3238245

SCHEMBL3238245

O=S(=O)(Nc1ccc(Br)cn1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
SLC40A1 Q9NP59 1/20 0.55
FBP1 P09467 1/20 0.52
PTGES2 Q9H7Z7 3/20 0.47
ALDH1A1 P00352 4/20 0.46
KIT P10721 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SLC22A12 Q96S37 1/20 0.45

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
SCHEMBL16235250 0.81 SLC40A1 (0.50) SLC40A1FBP1PTGES2KITHDAC3
SCHEMBL16235316 0.81 SLC40A1 (0.52) SLC40A1FBP1PTGES2KITHDAC3
SCHEMBL3244704 0.76 SYK (0.52) MEN1KMT2AALDH1A1
SCHEMBL29023883 0.76 MEN1 (0.69) MEN1KMT2AALDH1A1HDAC3HDAC4
SCHEMBL3241930 0.76 FYN (0.51) SLC40A1FBP1PTGES2KITHDAC3
SCHEMBL22441824 0.75 PGR (0.59) MEN1KMT2ASLC40A1PTGES2ALDH1A1
SCHEMBL3249395 0.74 NPC1 (0.70) MEN1KMT2AALDH1A1KDM4EPKM
SCHEMBL13485914 0.74 SLC40A1 (0.60) SLC40A1FBP1PTGES2KITHDAC3
SCHEMBL18525587 0.73 KDM5A (0.49) MEN1KMT2AALDH1A1KDM4EPKM
SCHEMBL1267178 0.73 ALDH1A1 (0.59) MEN1KMT2ASLC40A1PTGES2ALDH1A1

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-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed