SCHEMBL7428386

SCHEMBL7428386

O=C(CS(=O)(=O)Nc1ccc(Br)cc1)NCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA4 P22748 1/20 0.46
CA9 Q16790 1/20 0.46
TGM2 P21980 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 2/20 0.40
FPR2 P25090 2/20 0.40
FPR3 P25089 1/20 0.40
LMNA P02545 1/20 0.38
NHERF1 O14745 1/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL830095 0.77 CA1 (0.50) CA1CA2CA12CA7CA4
SCHEMBL7418813 0.76 KDM4E (0.42) KMT2AGAAPOLBCTDSP1
SCHEMBL23112824 0.72 CA1 (0.61) CA1CA2CA12CA7CA4
SCHEMBL27911568 0.70 CNR1 (0.60) CA1CA2CA12CA7CA4
SCHEMBL4598881 0.69 HPGD (0.64) CA1CA2CA12CA7CA4
SCHEMBL7428073 0.67 TP53 (0.41) FPR2FPR3SMN1; SMN2TP53CTDSP1
SCHEMBL1665183 0.66 OGG1 (0.59) CA1CA2CA12CA9MEN1
SCHEMBL23113031 0.65 CA1 (0.53) CA1CA2CA12CA7CA4
SCHEMBL4766928 0.65 CA1 (0.52) CA1CA2CA12CA7CA4
SCHEMBL3041532 0.65 AGER (0.48) MAPTMEN1KMT2AGAAFPR2

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-2002070469-A2 SELECTIVE PDE3B INHIBITORS AND USE OF THE SAME IN THERAPY ICOS CORPORATION (US) 2002-09-12 WO disclosed