SCHEMBL31470150

SCHEMBL31470150

[C-]#[N+]c1ccc(C(=O)OCC(=O)Nc2ccccc2Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 5/20 0.56
L3MBTL1 Q9Y468 3/20 0.53
LMNA P02545 3/20 0.53
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
KDM4E B2RXH2 2/20 0.52
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 1/20 0.51
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL31470148 0.90 L3MBTL1 (0.66) KMT2AALDH1A1L3MBTL1LMNANPY1R
SCHEMBL31470181 0.85 ALDH1A1 (0.57) KMT2AALDH1A1LMNANPY1RNPY2R
SCHEMBL31470183 0.85 SMN1; SMN2 (0.59) KMT2AALDH1A1L3MBTL1LMNANPY1R
SCHEMBL31470156 0.84 ALDH1A1 (0.50) KMT2AALDH1A1L3MBTL1LMNANPY1R
SCHEMBL31470178 0.83 BLM (0.61) KMT2AALDH1A1LMNANPY1RNPY2R
SCHEMBL31470186 0.83 SMN1; SMN2 (0.60) KMT2AALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL31470187 0.82 HTT (0.61) KMT2AALDH1A1L3MBTL1LMNANPY1R
SCHEMBL31470192 0.82 KDM4E (0.55) KMT2AALDH1A1LMNANPY1RNPY2R
SCHEMBL31470182 0.81 KDM4E (0.56) KMT2AALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL31470167 0.80 MEN1 (0.71) KMT2AALDH1A1L3MBTL1LMNARAB9A

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