SCHEMBL5584031

SCHEMBL5584031

COSCCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
TSHR P16473 1/20 0.51
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.44
MAOB P27338 1/20 0.43
PTPN1 P18031 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACHE P22303 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
RECQL P46063 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SIGMAR1 Q99720 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
SCHEMBL6889639 0.90 ALDH1A1 (0.49) ALDH1A1TSHRHPGDTDP1L3MBTL1
SCHEMBL28098859 0.86 ALDH1A1 (0.55) ALDH1A1TSHRHPGDTDP1L3MBTL1
SCHEMBL10630401 0.81 ALDH1A1 (0.56) ALDH1A1TSHRHPGDTDP1MAPT
SCHEMBL3397041 0.80 ALDH1A1 (0.60) ALDH1A1TSHRHPGDTDP1L3MBTL1
SCHEMBL3202573 0.78 ALDH1A1 (0.72) ALDH1A1TSHRHPGDTDP1L3MBTL1
SCHEMBL874591 0.77 ALDH1A1 (0.56) ALDH1A1TSHRHPGDTDP1L3MBTL1
SCHEMBL5584033 0.77 ALDH1A1 (0.51) ALDH1A1TSHRHPGDTDP1L3MBTL1
SCHEMBL11022826 0.77 ALDH1A1 (0.51) ALDH1A1TSHRHPGDTDP1L3MBTL1
SCHEMBL5186243 0.77 ALDH1A1 (0.51) ALDH1A1TSHRHPGDMAOBHSD17B10
SCHEMBL261866 0.75 ALDH1A1 (0.58) ALDH1A1TSHRHPGDTDP1L3MBTL1

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