SCHEMBL26644390

SCHEMBL26644390

O=S(=O)(O)CCC[n+]1ccc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ RECQL P46063 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ BLM P54132 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ PTGS2 P35354 2/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ LMNA P02545 2/20 0.31
▸ CHKA P35790 2/20 0.30
▸ USP2 O75604 1/20 0.30

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
SCHEMBL26644559 0.84 PTGS2 (0.44) MAPTKDM4EALDH1A1PTGS2CHKA
SCHEMBL18102250 0.83 KDM4A (0.42) KMT2ARAD52RXFP1MAPTKDM4E
SCHEMBL14392881 0.81 KMT2A (0.37) KMT2ARAD52RXFP1MAPTKDM4E
SCHEMBL14392935 0.80 KMT2A (0.40) KMT2ARAD52RXFP1MAPTKDM4E
SCHEMBL10104215 0.80 KMT2A (0.36) KMT2ARAD52RXFP1MAPTKDM4E
SCHEMBL15460029 0.80 KMT2A (0.36) KMT2ARAD52RXFP1MAPTKDM4E
SCHEMBL10104165 0.79 KMT2A (0.39) KMT2ARAD52RXFP1MAPTKDM4E
SCHEMBL13989158 0.75 KMT2A (0.49) KMT2ARAD52RXFP1MAPTKDM4E
SCHEMBL5679470 0.74 CHAT (0.43) KMT2ARAD52RXFP1MAPTKDM4E
SCHEMBL13428293 0.74 KMT2A (0.39) KMT2ARAD52RXFP1MAPTKDM4E

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
US-20230341410-A1 LUCIFERASE-BASED THERMAL SHIFT ASSAYS PROMEGA CORPORATION 2023-10-26 — — US disclosed
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