SCHEMBL5774969

SCHEMBL5774969

NC(=S)C1CC1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.68
TP53 P04637 1/20 0.50
MAPT P10636 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 4/20 0.45
ALDH1A1 P00352 7/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX15 P16050 1/20 0.42
KDM1A O60341 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5778769 0.87 SLC9A1 (0.74) SLC9A1TP53MAPTMEN1KMT2A
SCHEMBL5775091 0.82 SLC9A1 (0.67) SLC9A1TP53MAPTMEN1KMT2A
SCHEMBL7002979 0.82 SLC9A1 (0.67) SLC9A1TP53MAPTMEN1KMT2A
SCHEMBL6902353 0.82 SLC9A1 (0.67) SLC9A1TP53MAPTMEN1KMT2A
SCHEMBL29640120 0.81 SLC9A1 (0.65) SLC9A1TP53MAPTMEN1KMT2A
SCHEMBL21200122 0.81 SLC9A1 (0.65) SLC9A1TP53MAPTMEN1KMT2A
SCHEMBL21200120 0.81 SLC9A1 (0.65) SLC9A1TP53MAPTMEN1KMT2A
SCHEMBL31406299 0.80 SLC9A1 (0.64) SLC9A1TP53MAPTMEN1KMT2A
SCHEMBL13691660 0.79 SLC9A1 (0.58) SLC9A1TP53MAPTMEN1KMT2A
SCHEMBL7090504 0.79 SLC9A1 (0.58) SLC9A1MAPTMEN1KMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1652839-A2 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-05-03 EP disclosed
EP-1227084-B1 DRUG DISCHARGE PUMP INHIBITORS TRINE PHARMACEUTICALS INC (US) 2005-12-14 EP disclosed
EP-1227084-A1 DRUG DISCHARGE PUMP INHIBITORS Microcide Pharmaceuticals, Inc. (US) 2002-07-31 EP disclosed