SCHEMBL31470189

SCHEMBL31470189

[C-]#[N+]c1ccc(C(=O)OCC(=O)NCCc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
KDM4E B2RXH2 2/20 0.58
KMT2A Q03164 5/20 0.57
ALDH1A1 P00352 1/20 0.57
THRB P10828 1/20 0.57
MAPT P10636 2/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 3/20 0.54
HPGD P15428 1/20 0.53
PKM P14618 1/20 0.53
GAA P10253 1/20 0.52

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
SCHEMBL31470177 0.87 HPGD (0.70) LMNAKDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL31470200 0.80 NPC1 (0.52) LMNAKDM4EKMT2ATHRBMAPT
SCHEMBL31470192 0.79 KDM4E (0.55) LMNAKDM4EKMT2AALDH1A1MAPT
SCHEMBL31470202 0.76 TSHR (0.52) LMNAKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL31470159 0.75 ALDH1A1 (0.58) LMNAKDM4EKMT2AALDH1A1MAPT
SCHEMBL12366104 0.73 HDAC3 (0.55) ALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL31470181 0.72 ALDH1A1 (0.57) LMNAKDM4EKMT2AALDH1A1MAPT
SCHEMBL31470150 0.72 KMT2A (0.65) LMNAKDM4EKMT2AALDH1A1MAPT
SCHEMBL31470183 0.72 SMN1; SMN2 (0.59) LMNAKMT2AALDH1A1THRBMAPT
SCHEMBL21778868 0.72 HPGD (0.81) LMNAKDM4EKMT2AMAPTSMN1; SMN2

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