SCHEMBL3386199

SCHEMBL3386199

O=S(=O)(c1cccc(Br)c1)N1CCC(F)(F)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.57
L3MBTL3 Q96JM7 1/20 0.57
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
GPR183 P32249 1/20 0.49
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
THRB P10828 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP3A4 P08684 1/20 0.44
GRM5 P41594 1/20 0.44
KIF18A Q8NI77 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL31426435 0.84 MBTD1 (0.52) MBTD1L3MBTL3MEN1KMT2AGPR183
SCHEMBL26618202 0.84 MBTD1 (0.52) MBTD1L3MBTL3MEN1KMT2AGPR183
SCHEMBL263317 0.82 MBTD1 (0.73) MBTD1L3MBTL3MEN1KMT2AALDH1A1
SCHEMBL3384758 0.82 MBTD1 (0.68) MBTD1L3MBTL3MEN1KMT2AGPR183
SCHEMBL31689628 0.81 MBTD1 (0.71) MBTD1L3MBTL3MEN1KMT2AALDH1A1
SCHEMBL265068 0.81 MBTD1 (0.71) MBTD1L3MBTL3MEN1KMT2AALDH1A1
SCHEMBL3391959 0.81 MBTD1 (0.71) MBTD1L3MBTL3MEN1KMT2AALDH1A1
SCHEMBL16015073 0.81 GLA (0.51) GPR183ALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL3387440 0.80 MBTD1 (0.70) MBTD1L3MBTL3MEN1KMT2AGPR183
SCHEMBL295085 0.80 MBTD1 (0.61) MBTD1L3MBTL3MEN1KMT2AGPR183

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-2010052448-A2 FUSED PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-05-14 WO disclosed