SCHEMBL8943981

SCHEMBL8943981

CSc1ccc(N(c2ccc(Oc3ccc(N(c4ccc(SC)cc4)c4ccc(SC)cc4)cc3)cc2)c2ccc(SC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.45
HTR2A P28223 1/20 0.45
KCNH2 Q12809 1/20 0.45
CYP1A1 P04798 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP1B1 Q16678 2/20 0.42
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
HRH3 Q9Y5N1 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
ALDH1A1 P00352 4/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL2774995 0.86 CYP1A1 (0.52) SLC6A4HTR2AKCNH2CYP1A1CYP1A2
SCHEMBL8943756 0.85 CYP1A1 (0.60) SLC6A4CYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL8943768 0.85 CYP1A1 (0.60) SLC6A4CYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL13832978 0.80 CYP1A1 (0.55) SLC6A4CYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL12533890 0.79 NISCH (0.42) SLC6A4NOX1ALDH1A1
SCHEMBL8943689 0.79 CYP1A2 (0.53) SLC6A4HTR2AKCNH2CYP1A1CYP1A2
SCHEMBL21183244 0.77 MEN1 (0.46) SLC6A4NOX1ALDH1A1MAPTLMNA
SCHEMBL21173484 0.77 ALDH1A1 (0.50) SLC6A4CYP1A2SLC6A2SLC6A3NOX1
SCHEMBL13367671 0.77 ALDH1A1 (0.50) SLC6A4CYP1A2SLC6A2SLC6A3NOX1
SCHEMBL7909500 0.77 LTA4H (0.57) SLC6A4HTR2AKCNH2CYP1A1CYP1A2

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-5480765-A PRESSURE AND HEAT SENSITIVE PAPER, IMPROVED PHOTOSTABILITY BY ADDITION OF TRIARYLAMINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1996-01-02 US disclosed