SCHEMBL30601292

SCHEMBL30601292

CC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(B4OC(C)(C)C(C)(C)O4)nc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 7/20 0.38
▸ PGR P06401 6/20 0.36
▸ PDK2 Q15119 3/20 0.33
▸ SRPK2 P78362 2/20 0.32
▸ SRPK1 Q96SB4 2/20 0.32
▸ EML4 Q9HC35 1/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ BACE1 P56817 1/20 0.31
▸ BACE2 Q9Y5Z0 1/20 0.31
▸ DGAT1 O75907 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
SCHEMBL26626356 1.00 ALK (0.38) ALKPGRPDK2SRPK2SRPK1
SCHEMBL30601312 0.83 LPL (0.37) PDK2DGAT1
SCHEMBL26626355 0.83 LPL (0.37) PDK2DGAT1
SCHEMBL30601279 0.83 LPL (0.37) PDK2DGAT1
SCHEMBL29981405 0.82 LIPG (0.47) ALKPGRPDK2
SCHEMBL19770123 0.82 LIPG (0.47) ALKPGRPDK2
SCHEMBL19939386 0.81 PGR (0.38) ALKPGRPDK2
SCHEMBL30601333 0.80 PDGFRB (0.30) —
SCHEMBL26626423 0.80 PDGFRB (0.30) —
SCHEMBL26626361 0.80 CYP17A1 (0.32) ALKCYP17A1CYP11B1CYP11B2

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-2023211213-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 솔루스첨단소재 주식회사 2023-11-02 — — WO disclosed
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