SCHEMBL21299279

SCHEMBL21299279

CC1C=NC=C(c2cc(C3=CC=CNC3)cc(-c3cccc(-c4cc(C5=CN=CCC5)cc(-c5cccnc5)c4)c3)c2)C1

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.30
▸ CYP11B2 P19099 2/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2B6 P20813 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
SCHEMBL20709492 0.77 MEN1 (0.45) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL13016493 0.76 MKNK1 (0.42) CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL20123310 0.75 MEN1 (0.45) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL16361130 0.75 MEN1 (0.45) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL15827379 0.73 NPY5R (0.41) CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL15827384 0.71 CYP19A1 (0.41) CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL13016401 0.71 NPY5R (0.42) CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL21698250 0.70 MKNK1 (0.49) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL19289665 0.70 CYP11B2 (0.34) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL18216650 0.69 CYP11B1 (0.45) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9

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
EP-3214666-B1 ORGANIC LIGHT EMITTING ELEMENT UNIV KYUSHU NAT UNIV CORP (JP) 2019-08-28 — — EP disclosed
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