SCHEMBL31470156

SCHEMBL31470156

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
RAB9A P51151 1/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 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
SCHEMBL31470150 0.84 KMT2A (0.65) ALDH1A1NPY1RNPY2RRAB9APOLB
SCHEMBL31470183 0.82 SMN1; SMN2 (0.59) ALDH1A1NPY1RNPY2RRAB9APOLB
SCHEMBL31470181 0.82 ALDH1A1 (0.57) ALDH1A1NPY1RNPY2RRAB9APOLB
SCHEMBL31470187 0.81 HTT (0.61) ALDH1A1NPY1RNPY2RPOLBLMNA
SCHEMBL31470148 0.80 L3MBTL1 (0.66) ALDH1A1NPY1RNPY2RPOLBLMNA
SCHEMBL31470186 0.80 SMN1; SMN2 (0.60) ALDH1A1POLBLMNAKMT2AMAPT
SCHEMBL31470178 0.80 BLM (0.61) ALDH1A1NPY1RNPY2RPOLBLMNA
SCHEMBL31470192 0.79 KDM4E (0.55) ALDH1A1NPY1RNPY2RRAB9ALMNA
SCHEMBL31470161 0.79 ALDH1A1 (0.50) ALDH1A1RAB9AKMT2AMAPTTDP1
SCHEMBL31470185 0.77 NTRK1 (0.47) ALDH1A1LMNAKMT2AMAPTL3MBTL1

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