SCHEMBL9783390

SCHEMBL9783390

C=CCB(c1ccccc1F)c1ccccc1F.CCCCCCCCCCn1ccnc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 3/20 0.52
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9783201 0.84 TBXAS1 (0.57) TBXAS1MEN1KMT2ALMNAMAPK1
SCHEMBL9783712 0.81 TBXAS1 (0.48) TBXAS1MEN1KMT2ALMNAMAPK1
SCHEMBL9783521 0.80 QPCT (0.38) —
SCHEMBL9783746 0.76 TBXAS1 (0.55) TBXAS1MEN1KMT2ALMNAMAPK1
SCHEMBL9783395 0.75 TBXAS1 (0.60) TBXAS1MEN1KMT2ALMNAMAPK1
SCHEMBL9808520 0.73 TBXAS1 (0.48) TBXAS1MEN1KMT2ALMNAMAPK1
SCHEMBL9783713 0.73 TBXAS1 (0.65) TBXAS1MEN1KMT2ALMNAMAPK1
Vinyl Chloride SCHEMBL28146536 0.73 TBXAS1 (0.80) TBXAS1MEN1KMT2ALMNA
Propene SCHEMBL29191459 0.72 TBXAS1 (0.79) TBXAS1LMNA
SCHEMBL9783058 0.72 TBXAS1 (0.60) TBXAS1MEN1KMT2ALMNAMAPK1

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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