SCHEMBL30166037

SCHEMBL30166037

c1ccc(C(c2ccccn2)c2ccccn2)cc1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.91
SLC6A4 P31645 4/20 0.91
SLC6A3 Q01959 4/20 0.91
KDM4E B2RXH2 3/20 0.50
CHRM2 P08172 2/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.50
SCN1A P35498 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
ABCB11 O95342 1/20 0.50
ESR1 P03372 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADRA2A P08913 1/20 0.50
CYP2C9 P11712 1/20 0.50
PDE4A P27815 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRK1 P41145 1/20 0.50
STAT6 P42226 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL10154156 1.00 SLC6A2 (0.91) SLC6A2SLC6A4SLC6A3KDM4ECHRM2
SCHEMBL3290275 0.95 SLC6A3 (1.00) SLC6A2SLC6A4SLC6A3KDM4ECHRM2
Bromide SCHEMBL30297437 0.93 SLC6A3 (0.95) SLC6A2SLC6A4SLC6A3KDM4ECHRM2
SCHEMBL2457219 0.85 SLC6A3 (0.73) SLC6A2SLC6A4SLC6A3KDM4ETSHR
SCHEMBL28552853 0.84 SLC6A3 (0.78) SLC6A2SLC6A4SLC6A3KDM4ECHRM2
SCHEMBL29088831 0.84 SLC6A3 (0.78) SLC6A2SLC6A4SLC6A3KDM4ECHRM2
SCHEMBL15854855 0.84 SLC6A3 (0.78) SLC6A2SLC6A4SLC6A3KDM4ECHRM2
SCHEMBL14164965 0.84 SLC6A3 (0.78) SLC6A2SLC6A4SLC6A3KDM4ECHRM2
SCHEMBL13089177 0.84 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3KDM4ECHRM2
SCHEMBL16557975 0.83 SLC6A3 (0.64) SLC6A2SLC6A4SLC6A3KDM4ECHRM2

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
CN-115584142-B Cyanine dye with red luminous ring structure and synthesis method thereof 三峡大学 2023-07-11 CN claimed
CN-115584142-A Red luminous cyanine dye with ring structure and synthesis method thereof 三峡大学 2023-01-10 CN claimed
CN-115584142-B Cyanine dye with red luminous ring structure and synthesis method thereof 三峡大学 2023-07-11 CN disclosed
CN-115584142-A Red luminous cyanine dye with ring structure and synthesis method thereof 三峡大学 2023-01-10 CN disclosed