SCHEMBL3387440

SCHEMBL3387440

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

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.70
L3MBTL3 Q96JM7 1/20 0.70
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 6/20 0.54
GPR183 P32249 1/20 0.50
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
POLB P06746 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
MMP2 P08253 1/20 0.47

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
SCHEMBL3711340 0.86 MBTD1 (0.68) MBTD1L3MBTL3MEN1KMT2AALDH1A1
SCHEMBL263317 0.83 MBTD1 (0.73) MBTD1L3MBTL3MEN1KMT2AALDH1A1
SCHEMBL3384758 0.83 MBTD1 (0.68) MBTD1L3MBTL3MEN1KMT2AALDH1A1
SCHEMBL100316 0.83 ALDH1A1 (0.62) MBTD1L3MBTL3MEN1KMT2AALDH1A1
SCHEMBL23682772 0.82 L3MBTL3 (1.00) MBTD1L3MBTL3ALDH1A1HPGDSMN1; SMN2
SCHEMBL265068 0.82 MBTD1 (0.71) MBTD1L3MBTL3MEN1KMT2AALDH1A1
SCHEMBL31689628 0.82 MBTD1 (0.71) MBTD1L3MBTL3MEN1KMT2AALDH1A1
SCHEMBL3391959 0.82 MBTD1 (0.71) MBTD1L3MBTL3MEN1KMT2AALDH1A1
SCHEMBL11969367 0.82 MBTD1 (0.80) MBTD1L3MBTL3MEN1KMT2AALDH1A1
SCHEMBL295085 0.81 MBTD1 (0.61) MBTD1L3MBTL3MEN1KMT2AALDH1A1

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