SCHEMBL31470152

SCHEMBL31470152

[C-]#[N+]c1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.69
KMT2A Q03164 7/20 0.69
MAPT P10636 7/20 0.69
TRPV1 Q8NER1 1/20 0.54
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
NTRK1 P04629 1/20 0.50
NTRK2 Q16620 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CACNA1B Q00975 1/20 0.46

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
SCHEMBL31470180 0.86 L3MBTL1 (0.61) MEN1KMT2AMAPTMAPK1NTRK1
SCHEMBL31470167 0.85 MEN1 (0.71) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL31470192 0.85 KDM4E (0.55) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL31470185 0.83 NTRK1 (0.47) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL31470148 0.79 L3MBTL1 (0.66) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL31470150 0.78 KMT2A (0.65) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL31470159 0.78 ALDH1A1 (0.58) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL31470184 0.78 SMN1; SMN2 (0.64) MEN1KMT2AMAPTALDH1A1NTRK1
SCHEMBL31470171 0.77 RXFP1 (0.58) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL31470154 0.76 KLK7 (0.54) MEN1KMT2AMAPTMAPK1ALDH1A1

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-2025027448-A1 ANTIBACTERIAL AGENTS, COMPOSITIONS AND USES THEREOF Università Degli Studi del Piemonte Orientale “Amedeo Avogadro” (IT) 2025-02-06 WO claimed
WO-2025027448-A1 ANTIBACTERIAL AGENTS, COMPOSITIONS AND USES THEREOF Università Degli Studi del Piemonte Orientale “Amedeo Avogadro” (IT) 2025-02-06 WO disclosed