SCHEMBL9783296

SCHEMBL9783296

CCCCB(c1ccccc1)c1ccccc1.Cc1cc(F)ccc1-n1cncc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 5/20 0.38
▸ CYP11B2 P19099 5/20 0.38
▸ IDO1 P14902 2/20 0.33
▸ PCSK9 Q8NBP7 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ LDLR P01130 1/20 0.33
▸ ATP4A P20648 2/20 0.32
▸ ATP4B P51164 2/20 0.32
▸ HCAR1 Q9BXC0 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ HPGDS O60760 2/20 0.30
▸ GPBAR1 Q8TDU6 2/20 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
SCHEMBL9783486 0.78 PDE4A (0.37) CYP11B1CYP11B2IDO1PCSK9
SCHEMBL9783308 0.76 CYP11B1 (0.38) CYP11B1CYP11B2IDO1PCSK9HSP90AA1
SCHEMBL9783247 0.75 ATP4A (0.32) ATP4AATP4BHCAR1GABRG2GABRB3
SCHEMBL14085646 0.69 PCSK9 (0.52) PCSK9HSP90AA1
SCHEMBL9783838 0.69 CYP3A4 (0.34) CYP11B1CYP11B2
SCHEMBL9784007 0.68 PDE4A (0.36) CYP11B1CYP11B2IDO1
SCHEMBL9784022 0.67 CYP11B1 (0.40) CYP11B1CYP11B2IDO1CRBNHPGDS
SCHEMBL6663731 0.66 PCSK9 (0.63) PCSK9
SCHEMBL9783544 0.65 CYP11B1 (0.36) CYP11B1CYP11B2IDO1HPGDS
SCHEMBL9783958 0.65 PDE4A (0.35) CYP11B1CYP11B2IDO1

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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