SCHEMBL31470178

SCHEMBL31470178

[C-]#[N+]c1ccc(C(=O)OCC(=O)Nc2cccc3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.61
ALDH1A1 P00352 7/20 0.58
MAPT P10636 6/20 0.58
POLB P06746 3/20 0.55
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL31470183 0.83 SMN1; SMN2 (0.59) ALDH1A1MAPTPOLBNPY1RNPY2R
SCHEMBL31470181 0.83 ALDH1A1 (0.57) ALDH1A1MAPTPOLBNPY1RNPY2R
SCHEMBL31470150 0.83 KMT2A (0.65) ALDH1A1MAPTPOLBNPY1RNPY2R
SCHEMBL31470148 0.81 L3MBTL1 (0.66) ALDH1A1MAPTPOLBNPY1RNPY2R
SCHEMBL31470186 0.81 SMN1; SMN2 (0.60) ALDH1A1MAPTPOLBKDM4EHPGD
SCHEMBL31470187 0.80 HTT (0.61) ALDH1A1MAPTPOLBNPY1RNPY2R
SCHEMBL31470156 0.80 ALDH1A1 (0.50) ALDH1A1MAPTPOLBNPY1RNPY2R
SCHEMBL31470192 0.80 KDM4E (0.55) ALDH1A1MAPTNPY1RNPY2RKDM4E
SCHEMBL31470171 0.77 RXFP1 (0.58) ALDH1A1MAPTKDM4ELMNACYP1A2
SCHEMBL31470159 0.76 ALDH1A1 (0.58) ALDH1A1MAPTPOLBNPY1RNPY2R

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