SCHEMBL30089092

SCHEMBL30089092

CCCCOC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GFER P55789 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GAA P10253 3/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL30089101 0.89 KDM4E (0.46) KDM4ELMNAGFERKMT2AGAA
SCHEMBL30941590 0.81 USP30 (0.56) GFERKMT2A
SCHEMBL29136112 0.81 USP30 (0.56) GFERKMT2A
SCHEMBL18613893 0.81 KDM4E (0.49) KDM4ELMNAKMT2A
SCHEMBL27177207 0.79 KMT2A (0.50) GFERKMT2AGAA
SCHEMBL29136105 0.79 KMT2A (0.50) GFERKMT2AGAA
SCHEMBL30088942 0.79 HRH1 (0.48) KDM4EGFER
SCHEMBL31554320 0.76 USP30 (0.43) SMN1; SMN2KDM4EKMT2A
SCHEMBL30089100 0.76 JAK3 (0.44) GFERPOLB
SCHEMBL30089039 0.75 POLB (0.48) SMN1; SMN2KDM4ELMNAKMT2APOLB

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
EP-4341252-A1 OXOINDOLINE COMPOUND FOR THE TREATMENT OF INFLAMMATORY DISEASES OR CANCER F. Hoffmann-La Roche AG (CH) 2024-03-27 — — EP disclosed
WO-2022243346-A1 OXOINDOLINE COMPOUND FOR THE TREATMENT OF INFLAMMATORY DISEASES OR CANCER F. HOFFMANN-LA ROCHE AG (CH) 2022-11-24 — — WO disclosed
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