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SCHEMBL16122301

SCHEMBL16122301

Cc1ccc(-c2cc(C#N)cc(C#N)c2F)cc1-c1cc(-c2cc(-c3cc(C#N)cc(C#N)c3F)ccc2C)cc(-c2cc(-c3cc(CN)cc(C#N)c3F)ccc2C)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 11/20 0.36
▸ AR P10275 2/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.32
▸ ABL1 P00519 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 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
SCHEMBL17546156 0.89 AR (0.40) ARABL1PGRKDM1ACYP11B1
SCHEMBL16122715 0.72 GRM5 (0.39) ARCYP11B1CYP11B2
SCHEMBL16122302 0.70 MAP4K4 (0.38) ARPGRCYP11B1CYP11B2
SCHEMBL16122524 0.69 TSHR (0.40) ARKDM1A
SCHEMBL19532032 0.68 AR (0.35) ARPGRCYP11B1CYP11B2
SCHEMBL16122530 0.67 CYP11B1 (0.46) CYP11B1CYP11B2
SCHEMBL17545813 0.67 TRPV4 (0.35) CYP11B1CYP11B2
SCHEMBL16122710 0.66 CYP11B2 (0.41) ARPGRCYP11B1CYP11B2
SCHEMBL16122528 0.66 CYP11B1 (0.44) CYP11B1CYP11B2
SCHEMBL16122334 0.66 KIF11 (0.53) ARCYP11B1CYP11B2

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
WO-2014146750-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2014-09-25 — — WO disclosed
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