SCHEMBL29935566

SCHEMBL29935566

[2H]C(C)(C)c1ccnc(Br)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
KDM1A O60341 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL8229296 0.87 LMNA (0.35) IDO1CYP3A4CYP2C19HDAC8KDM1A
SCHEMBL28759287 0.81 IDO1 (0.34) IDO1CYP3A4CYP2C19HDAC8KDM1A
SCHEMBL31032205 0.79 PLG (0.41) IDO1CYP3A4CYP2C19HDAC8KDM1A
SCHEMBL21200276 0.79 PLG (0.41) IDO1CYP3A4CYP2C19HDAC8KDM1A
SCHEMBL29867137 0.79 PLG (0.41) IDO1CYP3A4CYP2C19HDAC8KDM1A
SCHEMBL17000191 0.79 IDO1 (0.33) IDO1CYP3A4CYP2C19HDAC8KDM1A
SCHEMBL3464147 0.79 ADRB2 (0.35) IDO1CYP3A4CYP2C19HDAC8KDM1A
SCHEMBL568609 0.79 PLG (0.41) IDO1CYP3A4CYP2C19HDAC8KDM1A
SCHEMBL3466298 0.79 ADRB2 (0.35) IDO1CYP3A4CYP2C19HDAC8KDM1A
SCHEMBL14211416 0.79 ADRB2 (0.35) IDO1CYP3A4CYP2C19HDAC8KDM1A

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
CN-115073529-A Organometallic compound, organic light emitting device including the same, and electronic apparatus including the organic light emitting device 三星电子株式会社 2022-09-20 CN disclosed