SCHEMBL7563545

SCHEMBL7563545

O=C(Nc1ccc(-c2ccccc2)cc1)c1sccc1NS(=O)(=O)c1ccccc1F.O=C(Nc1ccc(Cl)c(Cl)c1)c1sccc1NS(=O)(=O)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.48
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 2/20 0.45
KDM4E B2RXH2 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EDNRA P25101 2/20 0.45
EDNRB P24530 1/20 0.45
ACLY P53396 8/20 0.44

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
SCHEMBL7533748 0.94 CCR2 (0.53) CCR2MAPTMEN1KMT2ALMNA
SCHEMBL7537156 0.91 EDNRA (0.51) CCR2KMT2ALMNAEDNRAEDNRB
SCHEMBL7533735 0.85 KMT2A (0.49) CCR2MAPTMEN1KMT2ALMNA
SCHEMBL7538052 0.83 SMN1; SMN2 (0.56) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL7563215 0.83 MAPT (0.54) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL7532769 0.83 MAPT (0.53) CCR2MAPTMEN1KMT2ALMNA
SCHEMBL7538991 0.82 HTT (0.51) CCR2MAPTMEN1KMT2ALMNA
SCHEMBL7537030 0.82 MAPT (0.53) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL7562743 0.81 ACLY (0.52) CCR2MEN1KMT2AACLYNPC1
SCHEMBL7533017 0.81 LMNA (0.53) MAPTMEN1KMT2ALMNAMAPK1

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