SCHEMBL31401955

SCHEMBL31401955

O=C(Nc1ccccc1)Nc1cccc(NC(=O)C2CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.68
▸ GAA P10253 3/20 0.68
▸ MEN1 O00255 3/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ GFER P55789 1/20 0.68
▸ HPGD P15428 2/20 0.65
▸ KCNK3 O14649 1/20 0.62
▸ KCNK9 Q9NPC2 1/20 0.62
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ LMNA P02545 3/20 0.60
▸ HTT P42858 2/20 0.60
▸ GLA P06280 1/20 0.60
▸ USP2 O75604 1/20 0.60
▸ MGLL Q99685 1/20 0.59
▸ SIRT1 Q96EB6 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ NPC1 O15118 3/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ CASP3 P42574 1/20 0.58

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
SCHEMBL31401958 0.94 HPGD (0.76) MAPTGAAMEN1KMT2AGFER
SCHEMBL19501632 0.92 HPGD (0.79) MAPTGAAMEN1KMT2AGFER
SCHEMBL501924 0.88 GAA (0.85) MAPTGAAMEN1KMT2AGFER
SCHEMBL10055001 0.88 GAA (0.85) MAPTGAAMEN1KMT2AGFER
SCHEMBL29675219 0.88 GAA (0.85) MAPTGAAMEN1KMT2AGFER
SCHEMBL11863584 0.87 GAA (0.68) MAPTGAAMEN1KMT2AGFER
Hydrochloric Acid SCHEMBL1804763 0.86 GAA (0.82) MAPTGAAMEN1KMT2AGFER
SCHEMBL12160117 0.85 MAPK1 (0.72) MAPTGAAMEN1KMT2AGFER
SCHEMBL31401950 0.85 HPGD (0.83) MAPTGAAMEN1KMT2AGFER
SCHEMBL17193484 0.84 TP53 (0.81) MAPTMEN1KMT2ASMN1; SMN2LMNA

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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