SCHEMBL23219125

SCHEMBL23219125

CCOC(=O)Cc1ccccc1OCc1cnc2ccc(Br)cn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.45
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CFD P00746 1/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
AHR P35869 1/20 0.37
PTGS2 P35354 1/20 0.37
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PSD A5PKW4 1/20 0.36
PDE5A O76074 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC2A2 P11168 1/20 0.35
PTGER1 P34995 1/20 0.35

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
SCHEMBL29852848 1.00 TBXAS1 (0.45) TBXAS1KDM4ESMN1; SMN2RXFP1MAPT
SCHEMBL28736155 0.86 CFD (0.41) CFDALDH1A1AHRGAAPTGER1
SCHEMBL2263014 0.83 KDM4E (0.46) KDM4ESMN1; SMN2RXFP1MAPTMEN1
SCHEMBL29852662 0.80 CFD (0.56) TBXAS1CFDSLC2A2MET
SCHEMBL23219161 0.80 CFD (0.56) TBXAS1CFDSLC2A2MET
SCHEMBL28742005 0.77 KDM4E (0.43) TBXAS1KDM4ESMN1; SMN2RXFP1MAPT
SCHEMBL7890168 0.72 TBXAS1 (0.59) TBXAS1KDM4EMAPTMEN1KMT2A
SCHEMBL23218817 0.71 SLC2A2 (0.46) TBXAS1KDM4ESMN1; SMN2MAPTCFD
SCHEMBL29853185 0.71 SLC2A2 (0.46) TBXAS1KDM4ESMN1; SMN2MAPTCFD
SCHEMBL16397226 0.71 MAOB (0.53) TBXAS1KDM4ESMN1; SMN2CFDALDH1A1

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 4 patents. 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
CN-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 CN disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed