SCHEMBL31470169

SCHEMBL31470169

[C-]#[N+]c1ccc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.56
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
HPGD P15428 3/20 0.53
LMNA P02545 2/20 0.53
THRB P10828 2/20 0.53
VDR P11473 1/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.50
HSP90AA1 P07900 1/20 0.48
GBA1 P04062 1/20 0.47

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
SCHEMBL31470160 0.73 KMT2A (0.71) ALDH1A1TDP1KMT2AMEN1POLB
SCHEMBL31470176 0.72 KMT2A (0.70) ALDH1A1TDP1KMT2AMEN1POLB
SCHEMBL31470190 0.72 KMT2A (0.70) ALDH1A1TDP1KMT2AMEN1POLB
SCHEMBL31470166 0.71 TSHR (0.69) ALDH1A1MAPTHPGDLMNAKMT2A
SCHEMBL31470201 0.71 GAA (0.63) ALDH1A1TDP1MAPTHPGDLMNA
SCHEMBL31470192 0.70 KDM4E (0.55) ALDH1A1MAPTNPSR1LMNAKMT2A
SCHEMBL31470177 0.68 HPGD (0.70) TDP1MAPTHPGDLMNAKMT2A
SCHEMBL31470167 0.68 MEN1 (0.71) ALDH1A1TDP1MAPTNPSR1HPGD
SCHEMBL31470200 0.68 NPC1 (0.52) TDP1MAPTHPGDLMNATHRB
SCHEMBL31470171 0.68 RXFP1 (0.58) ALDH1A1MAPTLMNATHRBKMT2A

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