SCHEMBL7527101

SCHEMBL7527101

O=CN1CCc2cc(S(=O)(=O)Cl)ccc21.O=S(=O)(O)Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
POLB P06746 2/20 0.36
GLA P06280 1/20 0.36
PTPN11 Q06124 8/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2075108 0.96 POLB (0.39) CA12CA1CA2CA7CA9
SCHEMBL31687156 0.96 POLB (0.39) CA12CA1CA2CA7CA9
SCHEMBL2076187 0.87 TP53 (0.40) CA1CA2CA7CA9SMN1; SMN2
SCHEMBL14626050 0.81 CA1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL10599920 0.77 POLB (0.48) POLBGLATP53ADRB2ADRB1
SCHEMBL8276835 0.76 TP53 (0.56) POLBSMN1; SMN2TP53CYP2C9
SCHEMBL3200431 0.74 POLB (0.43) CA12CA1CA2CA7CA9
SCHEMBL38660212 0.74 POLB (0.43) CA12CA1CA2CA7CA9
SCHEMBL15528799 0.73 NOTUM (0.53)
SCHEMBL1021359 0.72 NOTUM (0.64) SMN1; SMN2MAPK1TP53MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181269-A1 CELL PROLIFERATION INHIBITORS ABBOTT LABORATORIES (US) 2002-02-27 EP disclosed
WO-2000073264-A1 CELL PROLIFERATION INHIBITORS ABBOTT LABORATORIES (US) 2000-12-07 WO disclosed