SCHEMBL9784079

SCHEMBL9784079

C=C(C)B(c1ccccc1Cl)c1ccccc1Cl.CCCCCCCCn1cncc1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ QPCT Q16769 14/20 0.36
▸ TLR8 Q9NR97 1/20 0.35
▸ QPCTL Q9NXS2 1/20 0.35
▸ NR1I2 O75469 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ CNR2 P34972 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
SCHEMBL9783063 0.85 KDM4E (0.40) KDM4ELMNAQPCTTLR8NR1I2
SCHEMBL9783657 0.83 KDM4E (0.38) KDM4ELMNAQPCTTLR8QPCTL
SCHEMBL9783179 0.79 TBXAS1 (0.53) LMNA
SCHEMBL9783671 0.77 QPCT (0.38) KDM4ELMNAQPCTTLR8NR1I2
SCHEMBL1011992 0.75 TBXAS1 (0.43) QPCTTLR8
SCHEMBL9822957 0.75 TBXAS1 (0.43) QPCTTLR8
SCHEMBL28220941 0.75 TBXAS1 (0.43) QPCTTLR8
SCHEMBL9783071 0.75 TLR8 (0.38) KDM4ELMNAQPCTTLR8QPCTL
SCHEMBL9783513 0.74 CYP11B1 (0.40) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL8591844 0.74 QPCT (0.43) QPCTTLR8

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
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
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