SCHEMBL7033936

SCHEMBL7033936

CCCCCCCCCCS(=O)(=O)c1cc(N2CCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.52
HPGD P15428 2/20 0.51
ALDH1A1 P00352 7/20 0.50
CYP1A2 P05177 4/20 0.50
CYP2C19 P33261 4/20 0.50
CYP2C9 P11712 3/20 0.50
KMT2A Q03164 2/20 0.50
CYP3A4 P08684 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 2/20 0.49
TXNRD1 Q16881 4/20 0.47
GSR P00390 1/20 0.47
HTT P42858 1/20 0.46
MAPK1 P28482 2/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL7030430 1.00 MAPT (0.52) MAPTHPGDALDH1A1CYP1A2CYP2C19
SCHEMBL7034964 0.81 GAA (0.42) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL7033755 0.78 TXNRD1 (0.60) MAPTKMT2AMEN1LMNATXNRD1
SCHEMBL7744848 0.76 TXNRD1 (0.58) MAPTTXNRD1GSR
SCHEMBL9453001 0.74 TXNRD1 (0.54) ALDH1A1KMT2AMEN1TXNRD1GSR
SCHEMBL2362856 0.74 TXNRD1 (0.54) ALDH1A1KMT2AMEN1TXNRD1GSR
SCHEMBL9905647 0.73 MAPT (0.57) MAPTHPGDALDH1A1CYP1A2CYP2C19
SCHEMBL16284337 0.72 HPGD (0.68) MAPTHPGDALDH1A1CYP1A2CYP2C19
SCHEMBL6653754 0.70 HPGD (0.97) MAPTHPGDALDH1A1CYP1A2CYP2C19
SCHEMBL163300 0.70 ALDH1A1 (0.57) MAPTHPGDALDH1A1CYP1A2CYP2C19

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-0930529-B1 Heat-sensitive recording material FUJI PHOTO FILM CO LTD (JP) 2003-02-26 EP disclosed
US-6197725-B1 FOE DEVELOPING RED TO MAGENTA TO VIOLET, IMAGE STORABILITY AND IMAGE FIXING PROPERTY FUJI PHOTO FILM CO., LTD. (JP) 2001-03-06 US disclosed
EP-0930529-A1 Heat-sensitive recording material Fuji Photo Film., Ltd. (JP) 1999-07-21 EP disclosed