SCHEMBL31470183

SCHEMBL31470183

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

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 6/20 0.53
POLB P06746 2/20 0.53
MAPT P10636 2/20 0.53
THRB P10828 1/20 0.53
HTT P42858 1/20 0.53
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
RAB9A P51151 1/20 0.48
GAA P10253 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL31470171 0.86 RXFP1 (0.58) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL31470186 0.85 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL31470181 0.85 ALDH1A1 (0.57) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL31470150 0.85 KMT2A (0.65) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL31470178 0.83 BLM (0.61) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL31470156 0.82 ALDH1A1 (0.50) SMN1; SMN2KMT2ALMNAALDH1A1POLB
SCHEMBL31470187 0.82 HTT (0.61) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL31470192 0.82 KDM4E (0.55) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL31470148 0.81 L3MBTL1 (0.66) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL31470159 0.78 ALDH1A1 (0.58) SMN1; SMN2MEN1KMT2ALMNAALDH1A1

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