SCHEMBL31636780

SCHEMBL31636780

COC(=O)c1cccc(-c2ccccc2)c1C(=O)Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.56
SLC6A4 P31645 3/20 0.56
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
HTT P42858 2/20 0.47
SLC6A2 P23975 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TOP2A P11388 1/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA3 P34903 2/20 0.46
HPGD P15428 2/20 0.46

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
SCHEMBL69682 0.89 SLC6A3 (0.57) SLC6A3SLC6A4PDCD1CD274HTT
SCHEMBL31636317 0.87 SLC6A3 (0.55) SLC6A3SLC6A4PDCD1CD274HTT
SCHEMBL29057957 0.87 SLC6A3 (0.55) SLC6A3SLC6A4PDCD1CD274HTT
SCHEMBL29404978 0.83 HNF4A (0.52) HTTMEN1KMT2AALDH1A1RECQL
SCHEMBL628182 0.83 HNF4A (0.52) HTTMEN1KMT2AALDH1A1RECQL
SCHEMBL1775832 0.81 SLC6A3 (0.74) SLC6A3SLC6A4PDCD1CD274SLC6A2
SCHEMBL27843639 0.81 SLC6A3 (0.74) SLC6A3SLC6A4PDCD1CD274HTT
SCHEMBL29109366 0.81 SLC6A3 (0.64) SLC6A3SLC6A4PDCD1CD274HTT
SCHEMBL1697842 0.81 HNF4A (0.54) SLC6A3SLC6A4PDCD1CD274HTT
Phosphine SCHEMBL11469830 0.80 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
WO-2025137158-A1 DERIVATIVES OF ([1,2,4]TRIAZOLO[5,1-A]ISOQUINOLINE-5-CARBONYL)GLYCINATE AS PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed