SCHEMBL31470201

SCHEMBL31470201

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

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
ALDH1A1 P00352 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.55
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 3/20 0.45
LMNA P02545 3/20 0.45
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL31470202 0.81 TSHR (0.52) GAAALDH1A1SMN1; SMN2POLBTDP1
SCHEMBL31470166 0.80 TSHR (0.69) GAAALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL31470200 0.77 NPC1 (0.52) GAAPOLBTDP1HPGDKMT2A
SCHEMBL31470160 0.77 KMT2A (0.71) ALDH1A1POLBTDP1KMT2AMEN1
SCHEMBL31470192 0.76 KDM4E (0.55) GAAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL31470176 0.76 KMT2A (0.70) ALDH1A1POLBTDP1KMT2AMEN1
SCHEMBL31470171 0.76 RXFP1 (0.58) GAAALDH1A1KMT2AMEN1MAPT
SCHEMBL31470190 0.76 KMT2A (0.70) ALDH1A1POLBTDP1KMT2AMEN1
SCHEMBL3445968 0.75 CA1 (0.61) ALDH1A1SMN1; SMN2TDP1HPGDKMT2A
SCHEMBL31470167 0.74 MEN1 (0.71) ALDH1A1SMN1; SMN2TDP1HPGDKMT2A

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