SCHEMBL30358635

SCHEMBL30358635

CC(=O)OCCC(F)(F)S(=O)(=O)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 1/20 0.40
▸ ABCC8 Q09428 1/20 0.40
▸ KCNJ11 Q14654 1/20 0.40
▸ KCNJ8 Q15842 1/20 0.40
▸ KAT6A Q92794 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ PKM P14618 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ NAMPT P43490 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ SLC40A1 Q9NP59 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ LMNA P02545 1/20 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
SCHEMBL30565852 0.79 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8KAT6A
SCHEMBL30358645 0.79 PKM (0.41) ABCC9ABCC8KCNJ11KCNJ8KAT6A
SCHEMBL30358638 0.76 ALDH1A1 (0.39) ABCC9ABCC8KCNJ11KCNJ8HTT
SCHEMBL30565869 0.76 KDM4E (0.41) ABCC9ABCC8KCNJ11KCNJ8KAT6A
SCHEMBL30565849 0.76 ABCC9 (0.42) ABCC9ABCC8KCNJ11KCNJ8KAT6A
SCHEMBL25377606 0.75 L3MBTL1 (0.41) ABCC9ABCC8KCNJ11KCNJ8KAT6A
SCHEMBL25378773 0.75 ABCC9 (0.42) ABCC9ABCC8KCNJ11KCNJ8KAT6A
SCHEMBL30565844 0.75 CYP2C19 (0.41) ABCC9ABCC8KCNJ11KCNJ8TSHR
Trifluoroacetic Acid SCHEMBL30358641 0.75 KAT6A (0.42) ABCC9ABCC8KCNJ11KCNJ8KAT6A
Hydrochloric Acid SCHEMBL30358627 0.75 L3MBTL1 (0.42) ABCC9ABCC8KCNJ11KCNJ8KAT6A

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
CN-116710467-A Photooxidation reduction protein modification 罗莎琳德·富兰克林研究所 2023-09-05 — — CN disclosed
EP-4182327-A1 PHOTOREDOX PROTEIN MODIFICATION The Rosalind Franklin Institute (GB) 2023-05-24 — — EP disclosed
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