SCHEMBL9783029

SCHEMBL9783029

CC(C)(C)c1cnc[nH]1.COc1ccccc1B(c1ccsc1C)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.32
▸ CYP11B2 P19099 1/20 0.31
▸ SLC9A1 P19634 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
SCHEMBL9783686 0.90 IDO1 (0.38) IDO1CYP11B2SLC9A1
SCHEMBL9783025 0.84 IDO1 (0.34) IDO1CYP11B2
SCHEMBL9783273 0.73 CYP3A4 (0.36) IDO1
SCHEMBL9783417 0.67 L3MBTL1 (0.32) SLC9A1
SCHEMBL9783548 0.66 CYP17A1 (0.33) IDO1CYP11B2
SCHEMBL9783367 0.60 ALDH1A1 (0.46) IDO1
SCHEMBL9783836 0.54 CYP3A4 (0.39) IDO1
SCHEMBL9783013 0.53 CYP17A1 (0.41) IDO1
SCHEMBL9783783 0.52 CYP19A1 (0.48) —
SCHEMBL9783769 0.52 PCSK9 (0.40) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5051514-A Complexing boranes and imidazoles CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-09-24 — — US disclosed
EP-0432987-A2 Fungicidal organoborane imidazole compounds and intermediates therefor CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-06-19 — — EP disclosed
US-4983589-A Fungicidal imidazole diphenylaliphaticboranes and derivatives thereof CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-01-08 — — US disclosed
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