SCHEMBL30005531

SCHEMBL30005531

CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1)S(C)(=O)=O

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
NPSR1 Q6W5P4 1/20 0.71
TGM2 P21980 8/20 0.60
F13A1 P00488 5/20 0.60
TGM1 P22735 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 3/20 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
SCHEMBL31518537 0.85 ALDH1A1 (0.79) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL31518391 0.84 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ANPSR1TGM2
SCHEMBL30005938 0.82 ALDH1A1 (0.84) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30005912 0.82 ALDH1A1 (0.79) ALDH1A1MEN1KMT2ANPSR1TGM2
SCHEMBL30005360 0.81 ALDH1A1 (0.82) ALDH1A1MEN1KMT2ANPSR1TGM2
SCHEMBL30005796 0.81 ALDH1A1 (0.84) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30006835 0.80 ALDH1A1 (0.79) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30005204 0.80 ALDH1A1 (0.82) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30005339 0.79 ALDH1A1 (0.74) ALDH1A1MEN1KMT2ANPSR1TGM2
SCHEMBL29060781 0.79 TGM2 (0.76) ALDH1A1MEN1KMT2ATGM2F13A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025085848-A1 ANTIBACTERIAL COMPOUNDS ARREPATH, INC. (US) 2025-04-24 WO disclosed
WO-2022220725-A1 LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS ZAMARATSKI EDOUARD (SE) 2022-10-20 WO disclosed