SCHEMBL31345282

SCHEMBL31345282

COC(=O)c1cccc(-c2ccccc2)c1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.62
SLC6A4 P31645 3/20 0.55
KMT2A Q03164 3/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 1/20 0.51
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 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
HTT P42858 3/20 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
SCHEMBL29109368 1.00 SLC6A3 (0.62) SLC6A3SLC6A4KMT2AMAPTALDH1A1
SCHEMBL1775832 0.84 SLC6A3 (0.74) SLC6A3SLC6A4KMT2AMAPTALDH1A1
SCHEMBL27843639 0.84 SLC6A3 (0.74) SLC6A3SLC6A4KMT2AMAPTALDH1A1
SCHEMBL29109366 0.83 SLC6A3 (0.64) SLC6A3SLC6A4KMT2AMAPTALDH1A1
Phosphine SCHEMBL11469830 0.82 SLC6A3 (0.72) SLC6A3SLC6A4KMT2AMAPTALDH1A1
Bicarbonate SCHEMBL27467504 0.82 SLC6A3 (0.72) SLC6A3SLC6A4KMT2AMAPTALDH1A1
SCHEMBL987813 0.82 TSHR (0.57) SLC6A3SLC6A4KMT2AMAPTALDH1A1
SCHEMBL4827474 0.81 HNF4A (0.66) SLC6A3SLC6A4KMT2AMAPTALDH1A1
SCHEMBL5533081 0.81 PDCD1 (0.60) SLC6A3SLC6A4KMT2AMAPTALDH1A1
SCHEMBL29918042 0.81 PDCD1 (0.60) SLC6A3SLC6A4KMT2AMAPTALDH1A1

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-119306765-A Adamantyl phosphine ligand of cinchona alkaloid skeleton, silver catalyst containing ligand and application of ligand 浙江工业大学 2025-01-14 CN claimed