SCHEMBL9843778

SCHEMBL9843778

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.37
▸ MGLL Q99685 1/20 0.36
▸ TBXAS1 P24557 3/20 0.35
▸ CYP11B1 P15538 4/20 0.35
▸ CYP11B2 P19099 4/20 0.35
▸ CYP19A1 P11511 3/20 0.35
▸ NOS1 P29475 4/20 0.34
▸ FNTA P49354 2/20 0.34
▸ FNTB P49356 2/20 0.34
▸ PGGT1B P53609 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9783385 0.91 TBXAS1 (0.33) QPCTMGLLTBXAS1CYP11B1CYP11B2
SCHEMBL9783045 0.86 TBXAS1 (0.38) QPCTMGLLTBXAS1CYP11B1CYP11B2
SCHEMBL9783277 0.83 CYP19A1 (0.41) QPCTTBXAS1CYP11B1CYP11B2CYP19A1
SCHEMBL9783422 0.83 TBXAS1 (0.36) QPCTMGLLTBXAS1CYP11B1CYP11B2
SCHEMBL9783467 0.82 NOS1 (0.40) QPCTMGLLTBXAS1CYP11B1CYP11B2
SCHEMBL9783452 0.80 NOS1 (0.38) QPCTMGLLTBXAS1CYP11B1CYP11B2
SCHEMBL9783410 0.77 CTSK (0.35) MGLLFNTAPGGT1BALDH1A1
SCHEMBL9783776 0.77 HMOX1 (0.37) TBXAS1CYP11B1CYP11B2CYP19A1NOS1
SCHEMBL9783053 0.75 PNMT (0.39) QPCTTBXAS1CYP11B1CYP11B2CYP19A1
SCHEMBL9783433 0.74 QPCT (0.38) QPCTTBXAS1CYP11B1CYP11B2CYP19A1

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 1 patent. 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
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