SCHEMBL31470182

SCHEMBL31470182

[C-]#[N+]c1cc(C)c(C(=O)OCC(=O)Nc2ccccc2Cl)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 2/20 0.53
ALDH1A1 P00352 7/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 2/20 0.51
THRB P10828 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 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
SCHEMBL31470195 0.86 RAB9A (0.54) KDM4EL3MBTL1TDP1ALDH1A1GAA
SCHEMBL31470170 0.83 MAPT (0.53) KDM4ETDP1LMNAALDH1A1KMT2A
SCHEMBL31470150 0.81 KMT2A (0.65) KDM4EL3MBTL1TDP1LMNAALDH1A1
SCHEMBL31470183 0.74 SMN1; SMN2 (0.59) L3MBTL1TDP1LMNAALDH1A1GAA
SCHEMBL31470148 0.72 L3MBTL1 (0.66) L3MBTL1TDP1LMNAALDH1A1KMT2A
SCHEMBL19388071 0.70 POLB (0.68) KDM4EL3MBTL1LMNAALDH1A1GAA
SCHEMBL31470197 0.70 MEN1 (0.58) L3MBTL1TDP1LMNAALDH1A1KMT2A
SCHEMBL11078120 0.69 NPC1 (0.64) KDM4EL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL11226437 0.68 L3MBTL1 (0.67) KDM4EL3MBTL1TDP1LMNAALDH1A1
SCHEMBL6907493 0.68 CYP1A2 (0.62) KDM4EL3MBTL1LMNAALDH1A1KMT2A

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 1 patent. 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 disclosed