SCHEMBL8670613

SCHEMBL8670613

CCn1c2ccccc2c2cc([N+]#N)cc(OS(=O)(=O)C(F)(F)C(F)C(F)(F)F)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.35
HTT P42858 3/20 0.35
HPGD P15428 2/20 0.35
NPY5R Q15761 2/20 0.33
MAPT P10636 8/20 0.32
ALDH1A1 P00352 4/20 0.32
FDFT1 P37268 2/20 0.32
PKM P14618 1/20 0.32
PER2 O15055 1/20 0.32
CRY1 Q16526 1/20 0.32
CRY2 Q49AN0 1/20 0.32
KDM4E B2RXH2 4/20 0.31
MAPK1 P28482 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGES O14684 1/20 0.31
MEN1 O00255 6/20 0.31
KMT2A Q03164 6/20 0.31
HSD17B10 Q99714 2/20 0.31
TDP1 Q9NUW8 2/20 0.31

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
SCHEMBL8083040 0.79 LMNA (0.44) LMNAHTTHPGDNPY5RMAPT
SCHEMBL9631354 0.64 MAPT (0.59) LMNAHTTHPGDNPY5RMAPT
Hydrochloric Acid SCHEMBL9630379 0.63 MAPT (0.58) LMNAHTTHPGDNPY5RMAPT
SCHEMBL9807629 0.63 MAPT (0.54) LMNAHTTHPGDNPY5RMAPT
SCHEMBL8081792 0.61 PTPN1 (0.33)
SCHEMBL2274079 0.60 NPY5R (0.46) LMNAHTTHPGDNPY5RMAPT
Lindane SCHEMBL9754163 0.59 MAPT (0.52) LMNAHTTHPGDMAPTALDH1A1
SCHEMBL6809164 0.59 KDM4E (0.59) LMNAHTTHPGDMAPTALDH1A1
SCHEMBL2587141 0.59 NPY5R (0.44) LMNAHTTHPGDNPY5RMAPT
SCHEMBL9145823 0.58 KDM4E (0.43) LMNAHTTHPGDMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776652-A Aromatic hexafluoropropanesulfonate diazonium salts and their use in radiation-sensitive mixtures AGFA-GEVAERT AG (DE) 1998-07-07 US disclosed