SCHEMBL7781667

SCHEMBL7781667

COS(=O)(=O)[O-].Cc1cc(C(=O)ON2C(=O)CCC2=O)cc(C)c1-c1cccc2c1c(C(=O)O)c1ccccc1[n+]2C

nearest known ligand 0.38

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.38
TTR P02766 1/20 0.32
LMNA P02545 1/20 0.32
PREP P48147 1/20 0.30

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
SCHEMBL4415782 0.87 PREP (0.33) PREP
SCHEMBL8910403 0.82 TERT (0.36) TERTLMNA
SCHEMBL29373064 0.82 TERT (0.36) TERTLMNA
SCHEMBL4413030 0.78 RAB9A (0.39) TTRLMNA
SCHEMBL3106622 0.76
SCHEMBL3907426 0.75 MYC (0.41) TERT
SCHEMBL31163697 0.74 ACHE (0.32) LMNAPREP
SCHEMBL641602 0.74 ACHE (0.32) LMNAPREP
Trifluoromethanesulfonic Acid SCHEMBL21542360 0.74 ACHE (0.31)
SCHEMBL10518165 0.73 NTSR1 (0.31)

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
EP-1136569-A2 Nucleic acid probes having highly hydrophilic non-nucleosidic tags with multiple labels, and uses thereof Bayer Corporation (US) 2001-09-26 EP disclosed