SCHEMBL9783422

SCHEMBL9783422

C=CB(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.N#CCn1ccnc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 2/20 0.36
▸ CYP11B1 P15538 5/20 0.36
▸ CYP11B2 P19099 5/20 0.36
▸ CYP19A1 P11511 4/20 0.36
▸ NOS1 P29475 4/20 0.36
▸ MGLL Q99685 1/20 0.35
▸ QPCT Q16769 1/20 0.34
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ PGGT1B P53609 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
SCHEMBL9783452 0.96 NOS1 (0.38) TBXAS1CYP11B1CYP11B2CYP19A1NOS1
SCHEMBL9783045 0.85 TBXAS1 (0.38) TBXAS1CYP11B1CYP11B2CYP19A1NOS1
SCHEMBL9843778 0.83 QPCT (0.37) TBXAS1CYP11B1CYP11B2CYP19A1NOS1
SCHEMBL9784121 0.82 CYP19A1 (0.43) TBXAS1CYP11B1CYP11B2CYP19A1QPCT
SCHEMBL9783467 0.82 NOS1 (0.40) TBXAS1CYP11B1CYP11B2CYP19A1NOS1
SCHEMBL9783789 0.79 KDM4E (0.35) CYP11B1CYP11B2CYP19A1MGLL
SCHEMBL9783776 0.77 HMOX1 (0.37) TBXAS1CYP11B1CYP11B2CYP19A1NOS1
SCHEMBL9783385 0.77 TBXAS1 (0.33) TBXAS1CYP11B1CYP11B2CYP19A1NOS1
SCHEMBL9783053 0.76 PNMT (0.39) TBXAS1CYP11B1CYP11B2CYP19A1NOS1
SCHEMBL9783433 0.76 QPCT (0.38) TBXAS1CYP11B1CYP11B2CYP19A1NOS1

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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