SCHEMBL31432467

SCHEMBL31432467

COC(=O)c1nc(C(=O)O)ccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 2/20 0.47
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
KDM5A P29375 1/20 0.38
JMJD1C Q15652 1/20 0.38
KDM3A Q9Y4C1 1/20 0.38
MGAM O43451 1/20 0.37

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
SCHEMBL17513100 0.89 NPSR1 (0.48) KDM4EL3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL3648082 0.81 KDM4E (0.48) KDM4EL3MBTL1MAPK1SMN1; SMN2TSHR
SCHEMBL28569322 0.81 KDM4E (0.53) KDM4EL3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL5747714 0.80 NPSR1 (0.50) KDM4EL3MBTL1NPSR1SMN1; SMN2TSHR
SCHEMBL31431734 0.80 CNR2 (0.41) L3MBTL1NPSR1SMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL28367308 0.80 KDM4E (0.46) KDM4EL3MBTL1MAPK1SMN1; SMN2TSHR
SCHEMBL23530235 0.79 KDM4E (0.47) KDM4EL3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL29110028 0.79 KDM4E (0.44) KDM4EL3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL31421969 0.79 NPSR1 (0.48) KDM4EL3MBTL1NPSR1SMN1; SMN2TSHR
SCHEMBL16030718 0.79 NPSR1 (0.48) KDM4EL3MBTL1NPSR1SMN1; SMN2TDP1

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-2025049326-A1 TRICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 BIOCRYST PHARMACEUTICALS, INC. (US) 2025-03-06 WO disclosed