SCHEMBL31432030

SCHEMBL31432030

COC(=O)c1cc(I)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 4/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYTH2 Q99418 1/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 1/20 0.44
PKM P14618 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA12 O43570 2/20 0.41

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
SCHEMBL31431925 0.86 FFAR4 (0.57) ALDH1A1HPGDLMNAKDM4EMEN1
SCHEMBL3279892 0.77 LMNA (0.59) POLBALDH1A1HPGDLMNAL3MBTL1
SCHEMBL7594450 0.76 CA2 (0.58) POLBALDH1A1HPGDLMNAL3MBTL1
SCHEMBL15359721 0.76 POLB (0.49) POLBALDH1A1HPGDLMNAL3MBTL1
SCHEMBL3983832 0.74 HPGD (0.65) POLBALDH1A1HPGDLMNAL3MBTL1
SCHEMBL15830076 0.74 POLB (0.63) POLBALDH1A1HPGDLMNAL3MBTL1
SCHEMBL527397 0.72 ALDH1A1 (0.52) POLBALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL2721981 0.72 ALDH1A1 (0.49) POLBALDH1A1LMNAKDM4EMEN1
SCHEMBL1026910 0.70 HTT (0.49) POLBALDH1A1LMNAKDM4EMEN1
SCHEMBL5713274 0.70 ALDH1A1 (0.52) POLBALDH1A1LMNAL3MBTL1KDM4E

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