SCHEMBL28840823

SCHEMBL28840823

O=C1C=CC(=O)N1c1cccc2cc[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 1/20 0.50
▸ MGLL Q99685 10/20 0.47
▸ AHR P35869 1/20 0.44
▸ KEAP1 Q14145 1/20 0.43
▸ PDPK1 O15530 1/20 0.42
▸ FAAH O00519 2/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ TAF1 P21675 1/20 0.40
▸ BRPF1 P55201 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ CECR2 Q9BXF3 1/20 0.40
▸ BRD9 Q9H8M2 1/20 0.40
▸ NR3C1 P04150 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ NR3C2 P08235 1/20 0.39
▸ AR P10275 1/20 0.39
▸ BACE1 P56817 1/20 0.37

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
SCHEMBL28654673 0.81 AHR (0.43) AHRKEAP1PDPK1BRD4TAF1
SCHEMBL14861202 0.76 AHR (0.36) AHRKEAP1PDPK1BRD4TAF1
SCHEMBL19511453 0.72 TLR9 (0.62) TLR9MGLLFAAH
SCHEMBL7229298 0.72 AHR (0.42) AHRKEAP1PDPK1BRD4TAF1
SCHEMBL16719842 0.72 AHR (0.48) AHRKEAP1PDPK1BRD4TAF1
SCHEMBL28340162 0.71 TLR9 (0.50) TLR9MGLLAHRFAAH
SCHEMBL29386767 0.69 TLR9 (0.64) TLR9MGLLFAAH
SCHEMBL152339 0.69 TLR9 (0.64) TLR9MGLLFAAH
SCHEMBL29110625 0.69 TLR9 (0.47) TLR9MGLLPDPK1FAAH
SCHEMBL121404 0.69 TLR9 (1.00) TLR9MGLLFAAH

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057694-B Preparation method of 7-maleimide indole compound 温州医科大学 2023-01-03 — — CN claimed
CN-114057694-A Preparation method of 7-maleimide indole compound 温州医科大学 2022-02-18 — — CN claimed
CN-114057694-B Preparation method of 7-maleimide indole compound 温州医科大学 2023-01-03 — — CN disclosed
CN-114057694-B Preparation method of 7-maleimide indole compound 温州医科大学 2023-01-03 — — CN disclosed
CN-114057694-B Preparation method of 7-maleimide indole compound 温州医科大学 2023-01-03 — — CN disclosed
CN-114174496-A Compositions and methods for generating hair cells by inhibiting epigenetic targets 频率医疗公司 2022-03-11 — — CN disclosed
CN-114057694-A Preparation method of 7-maleimide indole compound 温州医科大学 2022-02-18 — — CN disclosed
CN-114057694-A Preparation method of 7-maleimide indole compound 温州医科大学 2022-02-18 — — CN disclosed
CN-114057694-A Preparation method of 7-maleimide indole compound 温州医科大学 2022-02-18 — — CN disclosed
Send feedback