SCHEMBL7531331

SCHEMBL7531331

O=C(Nc1ccc(-c2ccccc2)cc1)c1sccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.55
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
MAPT P10636 3/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
PSMD14 O00487 2/20 0.52
POLB P06746 2/20 0.52
CACNA1B Q00975 2/20 0.52
APBA1 Q02410 2/20 0.52
FGB P02675 1/20 0.52
PLEC Q15149 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
EDNRB P24530 1/20 0.50
EDNRA P25101 1/20 0.50
GRM4 Q14833 1/20 0.49
ACLY P53396 2/20 0.49
STING1 Q86WV6 1/20 0.48
NRP1 O14786 1/20 0.48
CYP3A4 P08684 2/20 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
SCHEMBL7560628 0.90 LMNA (0.63) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL7569195 0.89 MEN1 (0.49) MEN1KMT2ANPSR1ACLYSTING1
SCHEMBL7539025 0.89 MEN1 (0.62) MEN1KMT2AMAPTCYP2C9CYP2C19
SCHEMBL7568445 0.89 MEN1 (0.53) MEN1KMT2AMAPTNPSR1GRM4
SCHEMBL7531704 0.86 ALDH1A1 (0.57) MEN1KMT2AMAPTPOLBGRM4
SCHEMBL7538859 0.86 ACLY (0.53) DHODHMEN1KMT2ANPSR1ACLY
SCHEMBL7539041 0.86 MEN1 (0.53) MEN1KMT2APOLBGRM4ACLY
SCHEMBL7537156 0.85 EDNRA (0.51) DHODHKMT2AEDNRBEDNRAACLY
SCHEMBL7534407 0.84 LMNA (0.56) MEN1KMT2AMAPTGRM4ACLY
SCHEMBL7533710 0.84 CYP3A4 (0.70) MEN1KMT2AMAPTPOLBCYP3A4

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-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO disclosed