SCHEMBL30338449

SCHEMBL30338449

CCCCC(c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.45
SIGMAR1 Q99720 1/20 0.41
CNR1 P21554 1/20 0.40
HRH1 P35367 5/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
DRD1 P21728 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
LMNA P02545 2/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
HTR2C P28335 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
SCHEMBL28878284 0.94 HTR2A (0.41) HTR2ASIGMAR1CNR1HRH1CYP2D6
SCHEMBL14288440 0.88 HTR2A (0.53) HTR2ASIGMAR1CNR1HRH1CYP2D6
SCHEMBL30620707 0.88 BDKRB2 (0.41) HTR2ASIGMAR1CNR1CYP2D6CYP1A2
SCHEMBL7979678 0.86 HTR2A (0.48) HTR2ACNR1HRH1CYP2D6CYP1A2
SCHEMBL18896204 0.83 NR1I2 (0.41) HTR2ACYP2D6CYP1A2CYP2C19LMNA
SCHEMBL6686061 0.81 KDM4E (0.42) HTR2ACYP1A2CHRM2SLC6A4KCNH2
SCHEMBL17666735 0.81 PYCR1 (0.41) HTR2ACYP2D6CYP1A2CYP2C19LMNA
SCHEMBL5795845 0.81 CYP1A2 (0.38) HTR2ACYP2D6CYP1A2CYP2C19SLC6A2
SCHEMBL1293020 0.79 SIGMAR1 (0.61) HTR2ASIGMAR1HRH1CYP2D6CYP1A2
SCHEMBL19003654 0.79 ESR1 (0.42) HTR2ACYP2D6CYP1A2CYP2C19SLC6A2

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-111362833-B Double anthracene D-delta-A type deep blue organic fluorescent material and preparation method and application thereof 陕西师范大学 2023-04-25 CN disclosed