SCHEMBL9783417

SCHEMBL9783417

CC(C)c1nc[nH]c1C(C)(C)C.COc1ccccc1B(c1ccccc1Cl)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ P2RX3 P56373 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HTR1A P08908 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 0.72 IDO1 (0.38) MEN1KMT2ASLC9A1
SCHEMBL9783025 0.67 IDO1 (0.34) L3MBTL1MEN1KMT2A
SCHEMBL9783742 0.62 ADRA2A (0.36) KMT2AHTR1A
SCHEMBL9783527 0.59 PAK1 (0.32) —
SCHEMBL9783273 0.53 CYP3A4 (0.36) —
SCHEMBL24837281 0.53 RAF1 (0.33) —
SCHEMBL13334904 0.53 CA1 (0.42) L3MBTL1
SCHEMBL21719501 0.52 PDPK1 (0.42) —
SCHEMBL16367745 0.51 DRD2 (0.54) —
SCHEMBL21872093 0.51 PDGFRB (0.57) —

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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