SCHEMBL7538859

SCHEMBL7538859

O=C(Nc1cccc(-c2ccccc2)c1)c1sccc1NS(=O)(=O)c1ccccc1.O=C(O)c1sccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACLY P53396 4/20 0.53
PFKFB3 Q16875 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
DHODH Q02127 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
MCL1 Q07820 2/20 0.44
STING1 Q86WV6 1/20 0.44
PHGDH O43175 1/20 0.43
NRP1 O14786 1/20 0.43

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
SCHEMBL7569195 0.97 MEN1 (0.49) ACLYPFKFB3MEN1KMT2ANPSR1
SCHEMBL3972622 0.86 CASP3 (0.50) ACLYMEN1KMT2ANPSR1CASP3
SCHEMBL7531331 0.86 DHODH (0.55) ACLYMEN1KMT2ADHODHNPSR1
SCHEMBL2748793 0.86 ACLY (0.62) ACLYPFKFB3NPSR1MCL1
SCHEMBL7534349 0.85 ACLY (0.53) ACLYMEN1KMT2ACASP3SENP8
SCHEMBL7533623 0.84 ACLY (0.55) ACLYMEN1KMT2ANPSR1
SCHEMBL7537211 0.83 KMT2A (0.55) ACLYMEN1KMT2ANPSR1CASP3
SCHEMBL532975 0.82 ACLY (0.69) ACLYMEN1KMT2ANPSR1
SCHEMBL7535073 0.81 MAPT (0.55) ACLYMEN1KMT2ACASP3SENP8
SCHEMBL7534407 0.81 LMNA (0.56) ACLYMEN1KMT2ACASP3SENP8

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