SCHEMBL9808520

SCHEMBL9808520

CCCCCCCCCCCCn1ccnc1.COc1ccccc1B(CC=CCl)c1ccccc1OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.48
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ TSHR P16473 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ GAA P10253 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALOX15 P16050 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ QPCT Q16769 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
SCHEMBL9783205 0.85 TBXAS1 (0.55) TBXAS1MEN1KMT2AMAPK1LMNA
SCHEMBL9784114 0.83 TBXAS1 (0.55) TBXAS1MEN1KMT2AMAPK1LMNA
SCHEMBL9783822 0.82 QPCT (0.39) QPCT
SCHEMBL9783138 0.80 CYP11B1 (0.37) TBXAS1MEN1KMT2AMAPK1ALDH1A1
SCHEMBL9783468 0.76 CYP19A1 (0.43) LMNATSHRALDH1A1TDP1HPGD
SCHEMBL9783166 0.75 KMT2A (0.46) TBXAS1MEN1KMT2AMAPK1LMNA
SCHEMBL9783390 0.73 TBXAS1 (0.52) TBXAS1MEN1KMT2AMAPK1LMNA
SCHEMBL9783141 0.72 MEN1 (0.54) TBXAS1MEN1KMT2AMAPK1LMNA
SCHEMBL9783058 0.72 TBXAS1 (0.60) TBXAS1MEN1KMT2AMAPK1LMNA
SCHEMBL27603449 0.71 TBXAS1 (0.96) TBXAS1LMNAQPCT

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-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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