SCHEMBL31421969

SCHEMBL31421969

COC(=O)c1nc(O)ccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
ERCC1 P07992 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
KDM4E B2RXH2 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
STAT3 P40763 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL5747714 0.83 NPSR1 (0.50) NPSR1SMN1; SMN2ERCC1FEN1ERCC4
SCHEMBL17513100 0.81 NPSR1 (0.48) NPSR1SMN1; SMN2KDM4EL3MBTL1CYP1A2
SCHEMBL16030718 0.81 NPSR1 (0.48) NPSR1SMN1; SMN2KDM4EL3MBTL1STAT3
SCHEMBL14858136 0.80 NPSR1 (0.47) NPSR1SMN1; SMN2KDM4EL3MBTL1STAT3
SCHEMBL1268827 0.80 NPSR1 (0.47) NPSR1SMN1; SMN2CA12CA1CA2
SCHEMBL2134852 0.80 NPSR1 (0.47) NPSR1SMN1; SMN2KDM4EL3MBTL1ALDH1A1
SCHEMBL17892764 0.80 NPSR1 (0.47) NPSR1SMN1; SMN2CA1CA2KDM4E
SCHEMBL10464949 0.79 NPSR1 (0.50) NPSR1SMN1; SMN2CA12CA1CA2
SCHEMBL29071416 0.79 NPSR1 (0.45) NPSR1SMN1; SMN2KDM4EL3MBTL1STAT3
SCHEMBL31432467 0.79 KDM4E (0.47) NPSR1SMN1; SMN2ERCC1FEN1ERCC4

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-2025085703-A1 METHODS FOR TREATING P53-ASSOCIATED CANCER SCORPION THERAPEUTICS, INC. (US) 2025-04-24 WO disclosed