SCHEMBL7538871

SCHEMBL7538871

O=C(Nc1cccc2c1CCCC2)c1sccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.53
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 2/20 0.46
HTR6 P50406 3/20 0.44
POLB P06746 1/20 0.44
NAMPT P43490 1/20 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
SCHEMBL7538874 0.82 METAP2 (0.55) METAP2ALDH1A1KDM4ELMNAGAA
SCHEMBL7538867 0.81 METAP2 (0.53) METAP2ALDH1A1KDM4ELMNAGAA
SCHEMBL7537973 0.80 LMNA (0.46) ALDH1A1LMNAGAAHTTMEN1
SCHEMBL7531707 0.79 RECQL (0.60) METAP2ALDH1A1LMNAHTTMEN1
SCHEMBL7532668 0.79 LMNA (0.57) METAP2ALDH1A1KDM4ELMNAGAA
SCHEMBL7531823 0.78 MAPT (0.55) ALDH1A1KDM4ELMNAHTTMEN1
SCHEMBL7569455 0.77 KDM4E (0.67) ALDH1A1KDM4EGAAHTTMEN1
SCHEMBL7535073 0.76 MAPT (0.55) METAP2ALDH1A1KDM4ELMNAGAA
SCHEMBL7531858 0.76 KMT2A (0.55) ALDH1A1KDM4ELMNAHTTMEN1
SCHEMBL7537945 0.75 HPGD (0.67) ALDH1A1KDM4ELMNAMEN1KMT2A

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