SCHEMBL31470187

SCHEMBL31470187

[C-]#[N+]c1ccc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.61
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 3/20 0.50
POLB P06746 3/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.50
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL31470181 0.84 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBKMT2AGAA
SCHEMBL31470183 0.82 SMN1; SMN2 (0.59) HTTALDH1A1POLBKMT2AL3MBTL1
SCHEMBL31470150 0.82 KMT2A (0.65) ALDH1A1KDM4EPOLBKMT2AL3MBTL1
SCHEMBL31470156 0.81 ALDH1A1 (0.50) ALDH1A1POLBKMT2AL3MBTL1GAA
SCHEMBL31470186 0.80 SMN1; SMN2 (0.60) HTTALDH1A1KDM4EPOLBKMT2A
SCHEMBL31470178 0.80 BLM (0.61) HTTALDH1A1KDM4EPOLBKMT2A
SCHEMBL31470192 0.79 KDM4E (0.55) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL31470148 0.78 L3MBTL1 (0.66) ALDH1A1POLBKMT2AL3MBTL1MEN1
SCHEMBL31470159 0.75 ALDH1A1 (0.58) HTTALDH1A1KDM4EPOLBKMT2A
SCHEMBL31470177 0.74 HPGD (0.70) KDM4EPOLBKMT2AL3MBTL1GAA

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