SCHEMBL30865825

SCHEMBL30865825

C[n+]1c(C=C2C=CN(CCC[N+](C)(C)C)c3ccccc32)sc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.39
▸ HTT P42858 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ BLM P54132 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ THRB P10828 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ GAA P10253 1/20 0.34
▸ NR2F2 P24468 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ SNCA P37840 2/20 0.34

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
Iodide SCHEMBL30216122 0.99 MAPT (0.40) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL3944198 0.96 MAPT (0.36) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL3944197 0.96 MAPT (0.36) MAPTHTTSMN1; SMN2MEN1KMT2A
Iodide SCHEMBL5918788 0.95 MAPT (0.38) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL3786410 0.93 MAPT (0.38) MAPTHTTSMN1; SMN2MEN1KMT2A
Iodide SCHEMBL2682814 0.92 MAPT (0.39) MAPTHTTSMN1; SMN2MEN1KMT2A
Iodide SCHEMBL29072731 0.91 MAPT (0.39) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL10023161 0.89 MAPT (0.41) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL13983891 0.89 MAPT (0.36) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL17903532 0.89 MAPT (0.40) MAPTHTTSMN1; SMN2MEN1KMT2A

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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