SCHEMBL31470177

SCHEMBL31470177

[C-]#[N+]c1ccc(C(=O)OCC(=O)NCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.70
MAPT P10636 1/20 0.70
TSHR P16473 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.57
LMNA P02545 3/20 0.56
KDM4E B2RXH2 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 1/20 0.51
RECQL P46063 1/20 0.51
ESR2 Q92731 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL31470189 0.87 LMNA (0.61) HPGDMAPTSMN1; SMN2LMNAKDM4E
SCHEMBL21778868 0.86 HPGD (0.81) HPGDMAPTTSHRSMN1; SMN2LMNA
SCHEMBL21778858 0.83 HPGD (0.77) HPGDMAPTTSHRSMN1; SMN2LMNA
SCHEMBL31470192 0.81 KDM4E (0.55) MAPTTSHRSMN1; SMN2LMNAKDM4E
SCHEMBL31470202 0.78 TSHR (0.52) MAPTTSHRSMN1; SMN2LMNAKDM4E
SCHEMBL31470159 0.77 ALDH1A1 (0.58) HPGDMAPTTSHRSMN1; SMN2LMNA
SCHEMBL31470200 0.76 NPC1 (0.52) HPGDMAPTLMNAKDM4EPOLB
SCHEMBL31470178 0.75 BLM (0.61) HPGDMAPTLMNAKDM4EPOLB
SCHEMBL31470150 0.74 KMT2A (0.65) MAPTLMNAKDM4EL3MBTL1POLB
SCHEMBL31470183 0.74 SMN1; SMN2 (0.59) MAPTSMN1; SMN2LMNAL3MBTL1POLB

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