SCHEMBL7538867

SCHEMBL7538867

NC(=O)c1cccc2c1CCCC2.O=C(O)c1sccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 6/20 0.53
ACLY P53396 2/20 0.47
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41
HTR6 P50406 3/20 0.40
IKBKB O14920 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CXCR5 P32302 1/20 0.38

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 0.88 METAP2 (0.55) METAP2ACLYALDH1A1LMNAKDM4E
SCHEMBL7537970 0.81 ACLY (0.50) METAP2ACLYALDH1A1LMNAKDM4E
SCHEMBL7538871 0.81 METAP2 (0.53) METAP2ALDH1A1LMNAKDM4EGAA
SCHEMBL532975 0.79 ACLY (0.69) METAP2ACLYALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL533067 0.78 ACLY (0.68) METAP2ACLYALDH1A1LMNAKDM4E
SCHEMBL7531857 0.77 POLB (0.52) METAP2ACLYALDH1A1LMNAKDM4E
SCHEMBL3657767 0.76 ACLY (0.55) METAP2ACLYLMNAGAANPSR1
SCHEMBL13316472 0.76 METAP2 (0.60) METAP2ALDH1A1LMNAKDM4EGAA
SCHEMBL2747681 0.74 ACLY (0.60) METAP2ACLYALDH1A1LMNAKDM4E
SCHEMBL7537207 0.73 ACLY (0.53) ACLYLMNAKDM4ENPSR1IKBKB

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