SCHEMBL30865826

SCHEMBL30865826

C[n+]1c(/C=C/C=C2\C=CN(CCC[N+](C)(C)C)c3ccccc32)sc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.39
▸ KMT2A Q03164 8/20 0.39
▸ HTT P42858 6/20 0.39
▸ MAPT P10636 6/20 0.39
▸ MAPK1 P28482 4/20 0.39
▸ THRB P10828 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ RAB9A P51151 7/20 0.37
▸ NPC1 O15118 6/20 0.37
▸ USP2 O75604 2/20 0.37
▸ MTOR P42345 1/20 0.37
▸ NPSR1 Q6W5P4 5/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ POLB P06746 3/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ INSR P06213 1/20 0.36
▸ BLM P54132 4/20 0.36
▸ APP P05067 2/20 0.35
▸ APAF1 O14727 1/20 0.35

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
SCHEMBL3939172 1.00 MEN1 (0.39) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL3939168 1.00 MEN1 (0.39) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL6726380 1.00 MEN1 (0.39) MEN1KMT2AHTTMAPTMAPK1
Iodide SCHEMBL2683522 0.99 MEN1 (0.38) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL3934123 0.96 RAB9A (0.38) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL26392086 0.96 RAB9A (0.38) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL3934125 0.96 RAB9A (0.38) MEN1KMT2AHTTMAPTMAPK1
Iodide SCHEMBL15656498 0.96 MEN1 (0.36) MEN1KMT2AHTTMAPTMAPK1
Iodide SCHEMBL5918651 0.95 MEN1 (0.38) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL3664041 0.94 MEN1 (0.38) MEN1KMT2AHTTMAPTMAPK1

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
EP-4565879-A2 SELECTIVE FLUORESCENT PROBES FOR MEASURING MULTIDRUG TRANSPORTER ACTIVITY HUN-REN TERMÉSZETTUDOMÁNYI KUTATÓKÖZPONT (HU) 2025-06-11 — — EP disclosed
WO-2024028620-A2 SELECTIVE FLUORESCENT PROBES FOR MEASURING MULTIDRUG TRANSPORTER ACTIVITY Természettudományi Kutatóközpont (HU) 2024-02-08 — — WO disclosed
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