SCHEMBL31470161

SCHEMBL31470161

[C-]#[N+]c1ccc(C(=O)OCC(=O)Nc2ccc(C#C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.47
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.45
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.41
PAX8 Q06710 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL31470185 0.86 NTRK1 (0.47) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL31470167 0.84 MEN1 (0.71) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL31470192 0.83 KDM4E (0.55) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL31470159 0.81 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL31470154 0.81 KLK7 (0.54) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL31470156 0.79 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTRAB9AGAA
SCHEMBL31470184 0.76 SMN1; SMN2 (0.64) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL31470180 0.75 L3MBTL1 (0.61) MEN1KMT2AMAPTRAB9AGAA
SCHEMBL31470152 0.75 MEN1 (0.69) ALDH1A1MEN1KMT2AMAPT
SCHEMBL31470150 0.74 KMT2A (0.65) ALDH1A1MEN1KMT2AMAPTRAB9A

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