SCHEMBL5584032

SCHEMBL5584032

O=[N+]([O-])c1ccccc1CCSCO

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
TSHR P16473 1/20 0.58
HPGD P15428 1/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CA12 O43570 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPN1 P18031 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
SCHEMBL6889642 0.90 ALDH1A1 (0.54) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL3397041 0.89 ALDH1A1 (0.60) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL5584033 0.81 ALDH1A1 (0.51) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL249846 0.80 ALDH1A1 (0.68) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL3202573 0.79 ALDH1A1 (0.72) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL7259696 0.79 ALDH1A1 (0.61) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL10628398 0.79 ALDH1A1 (0.49) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL10630401 0.79 ALDH1A1 (0.56) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL68381 0.77 ALDH1A1 (0.70) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL29699944 0.77 ALDH1A1 (0.70) ALDH1A1TSHRHPGDMEN1KMT2A

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-1425417-B1 INTERACTION DETECTION ON SEVERAL PROBE ARRAYS CLONDIAG CHIP TECH GMBH (DE) 2007-10-31 EP disclosed
EP-1425417-A2 INTERACTION DETECTION ON SEVERAL PROBE ARRAYS Clondiag Chip Technologies GmbH (DE) 2004-06-09 EP disclosed
WO-2003018838-A2 INTERACTION DETECTION ON SEVERAL PROBE ARRAYS CLONDIAG CHIP TECHNOLOGIES GMBH (DE) 2003-03-06 WO disclosed