SCHEMBL8295778

SCHEMBL8295778

CS(=O)(=O)c1ccc(N2CCCC(O)C2)c(C(=O)N=O)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.45
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.39
KDM2B Q8NHM5 2/20 0.38
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KIF18A Q8NI77 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3916636 0.87 SLC6A9 (0.47) SLC6A9LMNAGAAKDM2BHTT
SCHEMBL23850356 0.80 RAB9A (0.48) SLC6A9LMNAGAAHTTL3MBTL1
SCHEMBL31587363 0.80 RAB9A (0.48) SLC6A9LMNAGAAHTTL3MBTL1
SCHEMBL31588242 0.80 RAB9A (0.48) SLC6A9LMNAGAAHTTL3MBTL1
SCHEMBL23850489 0.80 RAB9A (0.48) SLC6A9LMNAGAAHTTL3MBTL1
SCHEMBL23850357 0.80 RAB9A (0.48) SLC6A9LMNAGAAHTTL3MBTL1
SCHEMBL3917381 0.78 SLC6A9 (0.77) SLC6A9
SCHEMBL23850817 0.77 LMNA (0.65) LMNAGAAALDH1A1
SCHEMBL23850205 0.77 LMNA (0.65) LMNAGAAALDH1A1
SCHEMBL23850202 0.77 LMNA (0.65) LMNAGAAALDH1A1

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-2005023260-A1 1- (2-AMINO-BENZOL) -PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed