SCHEMBL8911261

SCHEMBL8911261

CCCCCCN(CCCCCC)C(=Cc1ccccc1)c1ccncc1.CCCS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
NAAA Q02083 1/20 0.39
LMNA P02545 1/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
EGFR P00533 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL9016127 0.81 HSP90AA1 (0.39) TDP1LMNAMAPTMAPK1NPSR1
SCHEMBL25174362 0.81 HSP90AA1 (0.39) TDP1LMNAMAPTMAPK1NPSR1
SCHEMBL6418102 0.81 HSP90AA1 (0.39) TDP1LMNAMAPTMAPK1NPSR1
SCHEMBL5499677 0.79 LMNA (0.47) TDP1LMNA
SCHEMBL2428644 0.79 LMNA (0.47) TDP1LMNA
SCHEMBL6090753 0.75 HPGD (0.45) TDP1LMNAMAPTALDH1A1
SCHEMBL6379933 0.75 HPGD (0.45) TDP1LMNAMAPTALDH1A1
SCHEMBL9798372 0.74 TDP1 (0.47) TDP1NAAALMNA
SCHEMBL9804059 0.73 CYP19A1 (0.47) TDP1LMNAMAPTMAPK1KDM4E
SCHEMBL3359317 0.72 LMNA (0.46) TDP1LMNAMAPT

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-5598005-A Non-destructive method for determining the extent of cure of a polymerizing material and the solidification of a thermoplastic polymer based on wavelength shift of fluroescence THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE COMMERCE (US) 1997-01-28 US claimed