SCHEMBL8943768

SCHEMBL8943768

COc1ccc(N(c2ccc(SC)cc2)c2ccc(SC)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.60
CYP1A2 P05177 6/20 0.60
CYP1B1 Q16678 6/20 0.60
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SLC6A4 P31645 1/20 0.45
QPCT Q16769 1/20 0.44
SLC2A1 P11166 1/20 0.41
MAPT P10636 2/20 0.41
GSK3B P49841 1/20 0.41
ACHE P22303 1/20 0.39
ENPP2 Q13822 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8943756 1.00 CYP1A1 (0.60) CYP1A1CYP1A2CYP1B1ALDH1A1GAA
SCHEMBL13832978 0.94 CYP1A1 (0.55) CYP1A1CYP1A2CYP1B1ALDH1A1GAA
SCHEMBL8943689 0.93 CYP1A2 (0.53) CYP1A1CYP1A2CYP1B1ALDH1A1GAA
SCHEMBL12683362 0.88 CYP1A1 (0.49) CYP1A1CYP1A2CYP1B1ALDH1A1GAA
SCHEMBL1145983 0.87 CYP1A1 (0.75) CYP1A1CYP1A2CYP1B1ALDH1A1GAA
SCHEMBL11986269 0.87 CYP1A1 (0.75) CYP1A1CYP1A2CYP1B1ALDH1A1GAA
SCHEMBL12683324 0.87 CYP1A1 (0.47) CYP1A1CYP1A2CYP1B1ALDH1A1GAA
SCHEMBL8943981 0.85 SLC6A4 (0.45) CYP1A1CYP1A2CYP1B1ALDH1A1SLC6A4
SCHEMBL8943944 0.85 PTGIR (0.52) CYP1A1CYP1A2CYP1B1CA1CA2
Hydrogen Sulfide SCHEMBL17008164 0.84 CYP1A1 (0.72) CYP1A1CYP1A2CYP1B1ALDH1A1GAA

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