SCHEMBL19850323

SCHEMBL19850323

N#Cc1cncc(-c2ccc3c(c2)c2cc(-c4cncc(C#N)c4)ccc2n3-c2cccc3c2C(=O)N(c2cc(-c4ccccc4)cc(-c4ccccc4)c2)C3O)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.36
▸ CYP11B2 P19099 5/20 0.35
▸ CYP11B1 P15538 4/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ BRD2 P25440 1/20 0.34
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ MAP4K4 O95819 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ PGR P06401 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ GRIA2 P42262 1/20 0.30
▸ NEK1 Q96PY6 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
SCHEMBL19843273 0.94 BACE1 (0.35) BACE1CYP11B2CYP11B1BRD4BRD2
SCHEMBL23476469 0.92 PGR (0.36) PGR
SCHEMBL19843181 0.90 BACE1 (0.36) BACE1CYP11B2CYP11B1BRD4BRD2
SCHEMBL23476524 0.89 BACE1 (0.36) BACE1CYP11B2CYP11B1BRD4BRD2
SCHEMBL19850174 0.87 FFAR2 (0.36) BACE1PGRGRIA2
SCHEMBL23476525 0.87 BACE1 (0.35) BACE1CYP11B2CYP11B1BRD4BRD2
SCHEMBL19850210 0.86 BACE1 (0.34) BACE1CYP11B2CYP11B1BRD4BRD2
SCHEMBL19850175 0.85 FFAR2 (0.35) BACE1PGRGRIA2
SCHEMBL19843237 0.84 PGR (0.36) PGR
SCHEMBL19850147 0.84 KMT2A (0.33) BRD4BRD2

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-2018024725-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-08 — — WO disclosed
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