SCHEMBL9783578

SCHEMBL9783578

CCB(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.CCc1nc[nH]c1CC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.39
▸ CDC7 O00311 1/20 0.34
▸ DBF4 Q9UBU7 1/20 0.34
▸ TDO2 P48775 1/20 0.33
▸ CTSS P25774 2/20 0.32
▸ CTSK P43235 2/20 0.32
▸ BRAF P15056 1/20 0.32
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ IKBKB O14920 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL9783377 0.77 HRH3 (0.45) MGLL
SCHEMBL9783593 0.76 PNMT (0.39) TDO2
SCHEMBL9783541 0.70 TAAR1 (0.53) MGLL
SCHEMBL7857005 0.70 — —
SCHEMBL9783637 0.68 — —
SCHEMBL9783162 0.68 ADRA1D (0.40) —
SCHEMBL9783330 0.68 PCSK9 (0.41) L3MBTL1
SCHEMBL9783535 0.67 KDM4E (0.30) —
SCHEMBL9783915 0.65 KMT2A (0.43) MGLL
SCHEMBL16667383 0.64 MGLL (0.49) MGLLNOS3NOS1NOS2

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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