SCHEMBL31401958

SCHEMBL31401958

O=C(Nc1ccccc1)Nc1cccc(NC(=O)C2CCCC2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.76
▸ KCNK3 O14649 1/20 0.72
▸ KCNK9 Q9NPC2 1/20 0.72
▸ NPSR1 Q6W5P4 1/20 0.66
▸ F2R P25116 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ GAA P10253 2/20 0.60
▸ MEN1 O00255 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ GFER P55789 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ USP2 O75604 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ LMNA P02545 1/20 0.58
▸ PTPN1 P18031 1/20 0.57
▸ MGLL Q99685 1/20 0.56

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
SCHEMBL19501632 0.98 HPGD (0.79) HPGDKCNK3KCNK9NPSR1F2R
SCHEMBL31401955 0.94 MAPT (0.68) HPGDKCNK3KCNK9NPSR1ALDH1A1
SCHEMBL31401950 0.92 HPGD (0.83) HPGDKCNK3KCNK9NPSR1SMN1; SMN2
SCHEMBL19501631 0.90 HPGD (0.87) HPGDKCNK3KCNK9ALDH1A1SMN1; SMN2
SCHEMBL4668488 0.88 HPGD (0.96) HPGDKCNK3KCNK9NPSR1ALDH1A1
SCHEMBL1300190 0.87 HPGD (1.00) HPGDKCNK3KCNK9NPSR1ALDH1A1
SCHEMBL19703413 0.87 HPGD (1.00) HPGDKCNK3KCNK9NPSR1ALDH1A1
SCHEMBL2184247 0.85 HPGD (0.89) HPGDKCNK3KCNK9NPSR1ALDH1A1
SCHEMBL19501808 0.83 HPGD (0.73) HPGDKCNK3KCNK9NPSR1ALDH1A1
SCHEMBL11863584 0.81 GAA (0.68) HPGDKCNK3KCNK9NPSR1ALDH1A1

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
EP-4228630-B1 NLRP3 ACTIVATORS FOR USE IN THE TREATMENT OF INFECTIOUS DISEASES OR CANCER BY ACTIVATING NLRP3 INFLAMMASOME UNIV FREIBURG ALBERT LUDWIGS (DE) 2025-03-05 — — EP claimed
EP-4228630-B1 NLRP3 ACTIVATORS FOR USE IN THE TREATMENT OF INFECTIOUS DISEASES OR CANCER BY ACTIVATING NLRP3 INFLAMMASOME UNIV FREIBURG ALBERT LUDWIGS (DE) 2025-03-05 — — EP disclosed
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