SCHEMBL9783776

SCHEMBL9783776

CCCc1ccc(B(C)c2cccc(C(F)(F)F)c2)cc1.N#CCn1ccnc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HMOX1 P09601 1/20 0.37
▸ FNTA P49354 6/20 0.35
▸ FNTB P49356 6/20 0.35
▸ PGGT1B P53609 5/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ CYP11B1 P15538 5/20 0.34
▸ CYP11B2 P19099 5/20 0.34
▸ CYP19A1 P11511 4/20 0.34
▸ TBXAS1 P24557 1/20 0.33
▸ NOS1 P29475 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
SCHEMBL9783467 0.90 NOS1 (0.40) HMOX1FNTAFNTBPGGT1BCYP11B1
SCHEMBL9783045 0.90 TBXAS1 (0.38) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL9783795 0.81 HMOX1 (0.37) HMOX1FNTAFNTBPGGT1BCTSS
SCHEMBL9843778 0.77 QPCT (0.37) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL9783422 0.77 TBXAS1 (0.36) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL9783452 0.76 NOS1 (0.38) HMOX1FNTAFNTBCYP11B1CYP11B2
SCHEMBL9784018 0.75 CYP19A1 (0.46) CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL9783483 0.72 HMOX1 (0.40) HMOX1FNTAFNTBPGGT1BCYP11B1
SCHEMBL9783385 0.72 TBXAS1 (0.33) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL9783053 0.71 PNMT (0.39) CYP11B1CYP11B2CYP19A1TBXAS1NOS1

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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