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Sugi Predict / Compounds / SCHEMBL30224784

SCHEMBL30224784

SCHEMBL30224784

CC(C)(C)OC(=O)n1c(-c2ccccc2)cc2cc(CCCOS(C)(=O)=O)cc([N+](=O)[O-])c21.CC(C)(C)c1c(-c2ccccc2)n(C(=O)O)c2c([N+](=O)[O-])cc(CCCOS(C)(=O)=O)cc12

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 19/20 0.39
▸ NR1H3 Q13133 3/20 0.36
▸ BCL2 P10415 1/20 0.33
▸ BCL2L1 Q07817 1/20 0.33

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
SCHEMBL29185310 0.90 NR1H2 (0.45) NR1H2NR1H3
SCHEMBL30224791 0.90 NR1H2 (0.45) NR1H2NR1H3
SCHEMBL30224913 0.90 NR1H2 (0.49) NR1H2NR1H3
SCHEMBL31022362 0.88 NR1H2 (0.42) NR1H2NR1H3
SCHEMBL31022547 0.84 NR1H2 (0.38) NR1H2NR1H3
SCHEMBL30182867 0.83 NR1H2 (0.37) NR1H2NR1H3
SCHEMBL30183200 0.81 NR1H2 (0.48) NR1H2NR1H3
SCHEMBL29205637 0.81 NR1H2 (0.48) NR1H2NR1H3
SCHEMBL30224778 0.80 NR1H2 (0.39) NR1H2NR1H3
SCHEMBL30182874 0.79 NR1H2 (0.59) NR1H2NR1H3

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
WO-2024158205-A1 INDOLE DERIVATIVE WITH SUBSTITUENT AND PHARMACEUTICAL USE 주식회사 미토이뮨테라퓨틱스 2024-08-02 — — WO disclosed
WO-2023013994-A1 NOVEL INDOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 주식회사 미토이뮨테라퓨틱스 2023-02-09 — — WO disclosed