SCHEMBL3384758

SCHEMBL3384758

O=S(=O)(c1cccc(Br)c1)N1CCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.68
L3MBTL3 Q96JM7 1/20 0.68
ALDH1A1 P00352 6/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
LMNA P02545 3/20 0.58
TSHR P16473 2/20 0.58
THRB P10828 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
SIRT2 Q8IXJ6 1/20 0.58
HTT P42858 1/20 0.57
MAPT P10636 1/20 0.55
IL1RN P18510 1/20 0.55
GAA P10253 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
PKM P14618 1/20 0.51

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
SCHEMBL263317 0.96 MBTD1 (0.73) MBTD1L3MBTL3ALDH1A1SMN1; SMN2MEN1
SCHEMBL3391959 0.95 MBTD1 (0.71) MBTD1L3MBTL3ALDH1A1SMN1; SMN2MEN1
SCHEMBL31689628 0.95 MBTD1 (0.71) MBTD1L3MBTL3ALDH1A1SMN1; SMN2MEN1
SCHEMBL265068 0.95 MBTD1 (0.71) MBTD1L3MBTL3ALDH1A1SMN1; SMN2MEN1
SCHEMBL3430555 0.89 APOBEC3A (0.67) MBTD1L3MBTL3ALDH1A1SMN1; SMN2MEN1
SCHEMBL295085 0.86 MBTD1 (0.61) MBTD1L3MBTL3ALDH1A1SMN1; SMN2MEN1
SCHEMBL100316 0.85 ALDH1A1 (0.62) MBTD1L3MBTL3ALDH1A1SMN1; SMN2MEN1
SCHEMBL2379666 0.85 POLB (0.65) MBTD1L3MBTL3SMN1; SMN2MEN1KMT2A
SCHEMBL6798179 0.85 MBTD1 (0.59) MBTD1L3MBTL3ALDH1A1SMN1; SMN2MEN1
SCHEMBL3387440 0.83 MBTD1 (0.70) MBTD1L3MBTL3ALDH1A1SMN1; SMN2MEN1

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