SCHEMBL31470185

SCHEMBL31470185

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.47
NTRK2 Q16620 1/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 4/20 0.47
HDAC3 O15379 1/20 0.47
EGFR P00533 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL31470161 0.86 ALDH1A1 (0.50) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL31470152 0.83 MEN1 (0.69) NTRK1NTRK2KMT2AMEN1MAPT
SCHEMBL31470180 0.83 L3MBTL1 (0.61) NTRK1NTRK2KMT2AMEN1MAPT
SCHEMBL31470192 0.82 KDM4E (0.55) KMT2AMEN1MAPTALDH1A1NPSR1
SCHEMBL31470156 0.77 ALDH1A1 (0.50) KMT2AMAPTL3MBTL1ALDH1A1LMNA
SCHEMBL31470159 0.75 ALDH1A1 (0.58) KMT2AMEN1MAPTALDH1A1NPSR1
SCHEMBL31470184 0.75 SMN1; SMN2 (0.64) NTRK1NTRK2KMT2AMEN1MAPT
SCHEMBL31470167 0.75 MEN1 (0.71) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL4308490 0.74 SMN1; SMN2 (0.58) KMT2AMEN1MAPTHDAC3EGFR
SCHEMBL31470171 0.74 RXFP1 (0.58) KMT2AMEN1MAPTHDAC3HDAC4

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