SCHEMBL29853045

SCHEMBL29853045

COC(=O)c1c(C)oc2ccc(Br)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
POLB P06746 3/20 0.55
TSHR P16473 6/20 0.54
MAPT P10636 3/20 0.54
LMNA P02545 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPK1 P28482 2/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
SLC26A4 O43511 1/20 0.50
BLM P54132 1/20 0.50
ATM Q13315 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
SCHEMBL15020039 1.00 GAA (0.55) GAAPOLBTSHRMAPTLMNA
SCHEMBL8709574 0.90 ALDH1A1 (0.53) GAAPOLBTSHRMAPTLMNA
SCHEMBL21954283 0.85 PTGS2 (0.64) GAAPOLBTSHRMAPTLMNA
SCHEMBL29630278 0.84 GAA (0.74) GAAPOLBTSHRMAPTLMNA
SCHEMBL18516834 0.84 GAA (0.57) GAAPOLBTSHRMAPTLMNA
SCHEMBL5881512 0.84 GAA (0.74) GAAPOLBTSHRMAPTLMNA
SCHEMBL15019934 0.83 SLC26A4 (0.64) POLBTSHRLMNAMEN1KMT2A
SCHEMBL15287154 0.82 SMN1; SMN2 (0.56) GAAPOLBTSHRMAPTLMNA
SCHEMBL23218476 0.81 SLC22A12 (0.53) POLBTSHRMAPTLMNAMEN1
SCHEMBL29852438 0.81 SLC22A12 (0.53) POLBTSHRMAPTLMNAMEN1

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
EP-4041238-A1 ORAL COMPLEMENT FACTOR D INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-08-17 EP disclosed