SCHEMBL12912902

SCHEMBL12912902

c1ccc(-c2csc(Sc3scc(-c4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.43
CYP2B6 P20813 1/20 0.43
LMNA P02545 3/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
LCK P06239 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
MET P08581 1/20 0.37
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
PRKACA P17612 1/20 0.37
FLT1 P17948 1/20 0.37
LTK P29376 1/20 0.37

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
SCHEMBL30001683 0.90 CYP2A6 (0.39) CYP2A6CYP2B6LMNAMAPTHTT
SCHEMBL12912921 0.82 PARP1 (0.40) CYP2A6CYP2B6LMNAMAPTHTT
SCHEMBL29217099 0.80 DAPK3 (0.43) CYP2A6CYP2B6LMNAMAPTDAPK3
SCHEMBL6036925 0.77 BACE1 (0.41) CYP2A6CYP2B6LMNAMAPTHTT
Phosphine SCHEMBL28718427 0.76 BACE1 (0.41) CYP2A6CYP2B6LMNAMAPTHTT
SCHEMBL2286545 0.76 CYP2A6 (0.38) CYP2A6CYP2B6LMNAMAPTHTT
SCHEMBL8219401 0.76 ALDH1A1 (0.49) CYP2A6CYP2B6LMNAMAPTHTT
SCHEMBL27836567 0.76 CYP2A6 (0.47) CYP2A6CYP2B6LMNAMAPTHTT
SCHEMBL11678420 0.76 CYP2A6 (0.38) CYP2A6CYP2B6LMNAMAPTHTT
SCHEMBL10568574 0.76 PTGS1 (0.49) CYP2A6CYP2B6LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871714-B2 Polymer, electroluminescent device, and light emitting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-01-18 US disclosed
US-7871714-B2 Polymer, electroluminescent device, and light emitting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-01-18 US disclosed
US-20090102374-A1 POLYMER, ELECTROLUMINESCENT DEVICE, AND LIGHT EMITTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-04-23 US disclosed
US-20090102374-A1 POLYMER, ELECTROLUMINESCENT DEVICE, AND LIGHT EMITTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-04-23 US disclosed