SCHEMBL8348198

SCHEMBL8348198

Cc1cccc(C)c1NC(=O)C(NC(=S)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.47
ALDH1A1 P00352 7/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 1/20 0.47
BDKRB1 P46663 3/20 0.43
BDKRB2 P30411 1/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
RECQL P46063 2/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
THRB P10828 1/20 0.40

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
SCHEMBL6717157 0.86 ALDH1A1 (0.56) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL6713795 0.86 ALDH1A1 (0.54) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL6715692 0.84 MEN1 (0.55) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL6716681 0.82 SMN1; SMN2 (0.55) LMNAALDH1A1HPGDMAPTMEN1
SCHEMBL6718673 0.82 ALDH1A1 (0.46) LMNAALDH1A1HPGDMAPTMEN1
Hydrochloric Acid SCHEMBL6717144 0.81 ALDH1A1 (0.46) LMNAALDH1A1HPGDMAPTMEN1
SCHEMBL8344236 0.81 MEN1 (0.46) ALDH1A1MEN1KMT2ARECQLALOX12
SCHEMBL6723754 0.79 ALDH1A1 (0.57) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL6717668 0.79 MEN1 (0.54) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL6713812 0.78 ALDH1A1 (0.56) LMNAALDH1A1MAPTMEN1KMT2A

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-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed