SCHEMBL29777927

SCHEMBL29777927

[2H]C([2H])([2H])c1ccc(-c2ccccc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
CYP2A6 P11509 1/20 0.50
LDHA P00338 1/20 0.47
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
BAZ2B Q9UIF8 1/20 0.45
CYP11B1 P15538 10/20 0.44
CYP11B2 P19099 10/20 0.44
HPGDS O60760 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL15695148 1.00 CYP3A4 (0.50) CYP3A4CYP2A6LDHACCR1CCR5
SCHEMBL23645511 0.90 CCR1 (0.52) CYP3A4CYP2A6LDHACCR1CCR5
SCHEMBL29918678 0.90 CCR1 (0.52) CYP3A4CYP2A6LDHACCR1CCR5
SCHEMBL404433 0.85 CYP3A4 (0.66) CYP3A4CYP2A6LDHACCR1CCR5
Hydrochloric Acid SCHEMBL28148510 0.83 CYP3A4 (0.63) CYP3A4CYP2A6LDHACCR1CCR5
SCHEMBL12359222 0.82 CYP3A4 (0.61) CYP3A4CYP2A6LDHACCR1CCR5
SCHEMBL19713117 0.81 CYP3A4 (0.39) CYP3A4CYP2A6LDHACCR1CCR5
SCHEMBL30751968 0.81 CYP3A4 (0.39) CYP3A4CYP2A6LDHACCR1CCR5
SCHEMBL15614084 0.80 CYP3A4 (0.65) CYP3A4CYP2A6LDHACCR1CCR5
SCHEMBL32663655 0.79 CCR1 (0.42) CYP3A4CYP2A6CCR1CCR5CCR8

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115572315-B Organic electrophosphorescent luminescent material and application thereof 北京云基科技股份有限公司 2025-02-18 CN disclosed
CN-119161390-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 2024-12-20 CN disclosed
CN-114920783-B Luminescent material and application thereof 北京云基科技股份有限公司 2024-11-08 CN disclosed
CN-118684711-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 2024-09-24 CN disclosed
CN-115717068-B Organic luminescent material and luminescent device 北京云基科技股份有限公司 2024-09-17 CN disclosed
CN-117126207-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 2023-11-28 CN disclosed
CN-111527096-B Compound and organic light emitting device comprising the same 株式会社LG化学 2023-10-27 CN disclosed
CN-116425800-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 2023-07-14 CN disclosed
CN-116023415-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 2023-04-28 CN disclosed
CN-115717068-A Organic light-emitting material and light-emitting device 北京云基科技股份有限公司 2023-02-28 CN disclosed
CN-115572315-A Organic electrophosphorescent luminescent material and application thereof 北京云基科技有限公司 2023-01-06 CN disclosed
CN-115057892-A Metal organic complex and application thereof 北京云基科技有限公司 2022-09-16 CN disclosed
CN-114920783-A Luminescent material and application thereof 北京云基科技有限公司 2022-08-19 CN disclosed