SCHEMBL31470180

SCHEMBL31470180

[C-]#[N+]c1ccc(C(=O)OCC(=O)Nc2cccc(F)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
NTRK1 P04629 1/20 0.53
NTRK2 Q16620 1/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 3/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
GAA P10253 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL31470152 0.86 MEN1 (0.69) NTRK1NTRK2MEN1KMT2AMAPT
SCHEMBL31470192 0.85 KDM4E (0.55) MEN1KMT2AMAPTGAANPC1
SCHEMBL31470185 0.83 NTRK1 (0.47) L3MBTL1NTRK1NTRK2MEN1KMT2A
SCHEMBL31470181 0.78 ALDH1A1 (0.57) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL31470159 0.78 ALDH1A1 (0.58) MEN1KMT2AMAPTPOLBGAA
SCHEMBL31470184 0.78 SMN1; SMN2 (0.64) NTRK1NTRK2MEN1KMT2AMAPT
SCHEMBL31470167 0.78 MEN1 (0.71) L3MBTL1MEN1KMT2AMAPTMAPK1
SCHEMBL31470171 0.77 RXFP1 (0.58) L3MBTL1MEN1KMT2AMAPTGAA
SCHEMBL31470154 0.76 KLK7 (0.54) MEN1KMT2AMAPTMAPK1RAB9A
SCHEMBL31470161 0.75 ALDH1A1 (0.50) L3MBTL1MEN1KMT2AMAPTGAA

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