SCHEMBL31490967

SCHEMBL31490967

N#CSc1c[nH]c2ccc(C#N)cc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.49
HTR6 P50406 2/20 0.46
IDO1 P14902 1/20 0.44
MAP3K14 Q99558 1/20 0.44
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42
HTR1A P08908 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL29940685 0.83 SLC6A4 (0.49) SLC6A4HTR6IDO1HTR1ADRD1
SCHEMBL28796216 0.83 SLC6A4 (0.49) SLC6A4HTR6IDO1HTR1ADRD1
SCHEMBL31490964 0.80 TUBB4A (0.49) SLC6A4HTR6IDO1HTR1AHTR1B
SCHEMBL31490963 0.80 IDO1 (0.49) SLC6A4HTR6IDO1IMPDH2IMPDH1
SCHEMBL29307612 0.80 IDO1 (0.54) SLC6A4HTR6IDO1HTR1ASLC6A2
SCHEMBL31490943 0.80 CSNK2A1 (0.54) SLC6A4HTR6IDO1HTR1ASLC6A2
SCHEMBL28099154 0.80 SLC6A4 (0.46) SLC6A4HTR6IDO1MAP3K14HTR1A
SCHEMBL91369 0.77 SLC6A4 (0.49) SLC6A4HTR6IDO1MAP3K14IMPDH2
SCHEMBL13323651 0.77 HTR6 (0.63) SLC6A4HTR6IDO1MAP3K14IMPDH2
SCHEMBL31490955 0.76 TUBB4A (0.56) HTR6IDO1HTR1AHTR1BHTR2A

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-119823020-A Preparation method of 3-thiocyanatoindole derivative 常州工程职业技术学院 2025-04-15 CN disclosed