SCHEMBL31470192

SCHEMBL31470192

[C-]#[N+]c1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
PKM P14618 1/20 0.55
KMT2A Q03164 8/20 0.54
MEN1 O00255 6/20 0.54
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 5/20 0.52
GAA P10253 2/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KLK7 P49862 1/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL31470159 0.92 ALDH1A1 (0.58) KDM4EPKMKMT2AMEN1MAPT
SCHEMBL31470167 0.86 MEN1 (0.71) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL10996044 0.85 ALDH1A1 (0.63) KDM4EPKMKMT2AMEN1MAPT
SCHEMBL31470152 0.85 MEN1 (0.69) KDM4EKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL31470180 0.85 L3MBTL1 (0.61) KMT2AMEN1MAPTSMN1; SMN2GAA
SCHEMBL31470154 0.84 KLK7 (0.54) KDM4EKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL31470161 0.83 ALDH1A1 (0.50) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL31470181 0.82 ALDH1A1 (0.57) KDM4EKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL31470183 0.82 SMN1; SMN2 (0.59) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL31470150 0.82 KMT2A (0.65) KDM4EKMT2AMEN1MAPTALDH1A1

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