SCHEMBL16672185

SCHEMBL16672185

CCCCCCCCCCc1ccc2cc(/C=C/c3cc4ccc(CCCCCCCCCC)cc4cc3SC)c(SC)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.40
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SHBG P04278 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSPD1 P10809 1/20 0.38
ADRB3 P13945 1/20 0.38
HTR2C P28335 1/20 0.38
HSPE1 P61604 1/20 0.38
HIF1A Q16665 1/20 0.38
TST Q16762 1/20 0.38

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
SCHEMBL181328 1.00 TLR8 (0.40) TLR8ESR1ADRA2AADORA3TACR2
SCHEMBL181327 1.00 TLR8 (0.40) TLR8ESR1ADRA2AADORA3TACR2
SCHEMBL14786518 1.00 TLR8 (0.40) TLR8ESR1ADRA2AADORA3TACR2
SCHEMBL14786501 0.99 TLR8 (0.39) TLR8ESR1ADRA2AADORA3TACR2
SCHEMBL14786454 0.96 SIGMAR1 (0.40) TLR8
SCHEMBL19506649 0.94 TLR8 (0.36) TLR8ESR1ADRA2AADORA3TACR2
SCHEMBL14786477 0.93 GPR3 (0.37) TLR8HTR2A
SCHEMBL16672062 0.91 TLR8 (0.41) TLR8ESR1ADRA2AADORA3TACR2
SCHEMBL181044 0.89 CDK1 (0.42) TLR8ESR1ADRA2AADORA3TACR2
SCHEMBL17086837 0.87 ASIC3 (0.43) TLR8HSD17B10HTR2A

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-9018630-B2 Heterocyclic dinaphtho thieno thiophene (DNTT) compounds for use as organic semiconductor thin films in field effect transistors and related methods NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-04-28 US disclosed