SCHEMBL29109366

SCHEMBL29109366

COC(=O)c1cccc(-c2ccccc2)c1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.64
SLC6A4 P31645 3/20 0.64
PDCD1 Q15116 2/20 0.49
CD274 Q9NZQ7 2/20 0.49
SLC6A2 P23975 1/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
TOP2A P11388 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA3 P34903 1/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
MAPK10 P53779 1/20 0.48

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
SCHEMBL19923181 0.88 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2TSHRLMNA
SCHEMBL6255108 0.87 SLC6A3 (0.55) SLC6A3SLC6A4PDCD1CD274TSHR
SCHEMBL1775832 0.84 SLC6A3 (0.74) SLC6A3SLC6A4PDCD1CD274SLC6A2
SCHEMBL27843639 0.84 SLC6A3 (0.74) SLC6A3SLC6A4PDCD1CD274SLC6A2
SCHEMBL29109368 0.83 SLC6A3 (0.62) SLC6A3SLC6A4PDCD1CD274SLC6A2
SCHEMBL31345282 0.83 SLC6A3 (0.62) SLC6A3SLC6A4PDCD1CD274SLC6A2
SCHEMBL28674023 0.83 KMT2A (0.52) SLC6A3SLC6A4GABRA1GABRG2GABRB3
SCHEMBL28557486 0.83 SLC6A3 (0.51) SLC6A3SLC6A4PDCD1CD274TSHR
Phosphine SCHEMBL11469830 0.82 SLC6A3 (0.72) SLC6A3SLC6A4PDCD1CD274SLC6A2
Bicarbonate SCHEMBL27467504 0.82 SLC6A3 (0.72) SLC6A3SLC6A4PDCD1CD274SLC6A2

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-113582971-B Small molecule immunosuppressant, preparation method and application thereof 北京康辰药业股份有限公司 2023-10-20 CN disclosed