SCHEMBL27328537

SCHEMBL27328537

CC(=O)N(/C=C/c1sc2ccccc2[n+]1C)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.63
▸ MEN1 O00255 4/20 0.63
▸ KMT2A Q03164 4/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ ALOX12 P18054 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ CTNNB1 P35222 1/20 0.63
▸ INSR P06213 7/20 0.50
▸ ADRB2 P07550 3/20 0.49
▸ POLB P06746 5/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ HTT P42858 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ BLM P54132 2/20 0.48
▸ LMNA P02545 2/20 0.48

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
SCHEMBL30924933 1.00 MAPT (0.63) MAPTMEN1KMT2AALDH1A1CYP1A2
Iodide SCHEMBL11813030 0.99 MAPT (0.65) MAPTMEN1KMT2AALDH1A1CYP1A2
Perchlorate SCHEMBL10998853 0.95 MAPT (0.58) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL5477938 0.87 ALDH1A1 (0.51) MAPTMEN1KMT2AALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL10973745 0.86 MAPT (0.48) MAPTMEN1KMT2AALDH1A1CYP1A2
Iodide SCHEMBL9768656 0.84 MAPT (0.87) MAPTMEN1KMT2AALDH1A1CYP1A2
Iodide SCHEMBL8067949 0.84 MAPT (0.87) MAPTMEN1KMT2AALDH1A1CYP1A2
Iodide SCHEMBL20856302 0.82 MAPT (0.73) MAPTMEN1KMT2AALDH1A1CYP1A2
Iodide SCHEMBL20856301 0.82 MAPT (0.73) MAPTMEN1KMT2AALDH1A1CYP1A2
Iodide SCHEMBL11239785 0.82 MAPT (0.58) MAPTMEN1KMT2AALDH1A1CYP1A2

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-2024110392-A1 NEW NUCLEIC ACID BINDING COMPOUNDS AND USES bioMérieux (FR) 2024-05-30 — — WO disclosed
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