SCHEMBL28367162

SCHEMBL28367162

N#Cc1ccc(-c2ccccc2)c(N2c3ccccc3Sc3ccccc32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
ACHE P22303 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL28367159 0.84 LMNA (0.42) LMNAPGRCHRM2HTR1AADRA2A
SCHEMBL20061230 0.83 LMNA (0.45) LMNAPGRCHRM2HTR1AADRA2A
SCHEMBL19344955 0.81 LMNA (0.44) LMNAPGRCHRM2HTR1AADRA2A
SCHEMBL18375297 0.81 MGLL (0.42) LMNAPGRCHRM2HTR1AADRA2A
SCHEMBL28367326 0.80 PTGDR2 (0.37) MEN1KMT2APTGDR2MGLLPDCD1
SCHEMBL26048801 0.80 ALDH1A3 (0.41) LMNAPGRMAPK1MEN1KMT2A
SCHEMBL19345028 0.79 STS (0.42) LMNAPGRCHRM2HTR1AADRA2A
SCHEMBL26050969 0.78 CLK4 (0.40) LMNAMAPK1MEN1KMT2AALDH1A1
SCHEMBL26040867 0.78 ALDH1A3 (0.39) LMNAPGRMAPK1MEN1KMT2A
SCHEMBL19345043 0.78 LMNA (0.41) LMNAPGRCHRM2HTR1AADRA2A

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
CN-110914378-A Composition for use in organic light emitting diodes 九州有机光材股份有限公司 2020-03-24 CN disclosed