SCHEMBL9358952

SCHEMBL9358952

O=S(=O)(O)c1cccc(C=Cc2ccc(N=C=S)c(S(=O)(=O)O)c2N=C=S)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD1 O60671 1/20 0.41
P2RY6 Q15077 1/20 0.41
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 3/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
USP2 O75604 2/20 0.34
LTA P01374 2/20 0.34
CYP3A4 P08684 2/20 0.34
HPGD P15428 2/20 0.34
P2RX3 P56373 2/20 0.34
RAD51 Q06609 2/20 0.34
SENP3 Q9H4L4 5/20 0.33
SENP2 Q9HC62 5/20 0.33
SENP1 Q9P0U3 5/20 0.33
SUMO2 P61956 3/20 0.33
SUMO1 P63165 3/20 0.33
SENP7 Q9BQF6 3/20 0.33

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
SCHEMBL28624248 0.76 RAD1 (0.42) RAD1P2RY6APEX1TDP1ALDH1A1
SCHEMBL1976079 0.76 RAD1 (0.42) RAD1P2RY6APEX1TDP1ALDH1A1
SCHEMBL1295716 0.75 RAD1 (0.41) RAD1P2RY6APEX1TDP1ALDH1A1
SCHEMBL4780292 0.74 RAD1 (0.42) RAD1P2RY6APEX1TDP1ALDH1A1
SCHEMBL2834140 0.73 RAD1 (0.48) RAD1P2RY6APEX1TDP1ALDH1A1
SCHEMBL156112 0.72 RAD1 (0.47) RAD1P2RY6APEX1TDP1ALDH1A1
SCHEMBL29225411 0.71 P2RY6 (0.53) RAD1P2RY6APEX1TDP1ALDH1A1
SCHEMBL156114 0.71 RAD1 (0.50) RAD1P2RY6APEX1TDP1ALDH1A1
SCHEMBL2834143 0.69 RAD1 (0.51) RAD1P2RY6APEX1TDP1ALDH1A1
SCHEMBL7521581 0.68 TSHR (0.56) TDP1ALDH1A1HSD17B10TSHR

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-0626945-A1 SULFONIC ACID DERIVATIVES IN THE TREATMENT OF VIRAL DISEASES MERRELL PHARMACEUTICALS INC. (US) 1994-12-07 EP disclosed
WO-1993016992-A1 SULFONIC ACID DERIVATIVES IN THE TREATMENT OF VIRAL DISEASES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-09-02 WO disclosed