SCHEMBL5584033

SCHEMBL5584033

O=[N+]([O-])c1ccccc1CCSCOCSCCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
TSHR P16473 1/20 0.51
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
RECQL P46063 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
MAOB P27338 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL3397041 0.88 ALDH1A1 (0.60) ALDH1A1TSHRHPGDHTTNPC1
SCHEMBL5584032 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHPGDHTTNPC1
SCHEMBL28098859 0.79 ALDH1A1 (0.55) ALDH1A1TSHRHPGDHTTNPC1
SCHEMBL3202573 0.78 ALDH1A1 (0.72) ALDH1A1TSHRHPGDHTTNPC1
SCHEMBL10628398 0.78 ALDH1A1 (0.49) ALDH1A1TSHRHPGDHTTNPC1
SCHEMBL7259696 0.78 ALDH1A1 (0.61) ALDH1A1TSHRHPGDHTTNPC1
SCHEMBL10630401 0.77 ALDH1A1 (0.56) ALDH1A1TSHRHPGDHTTNPC1
SCHEMBL7135820 0.77 ALDH1A1 (0.60) ALDH1A1TSHRHPGDHTTNPC1
SCHEMBL5186243 0.77 ALDH1A1 (0.51) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL5584031 0.77 ALDH1A1 (0.51) ALDH1A1TSHRHPGDHTTNPC1

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