SCHEMBL29384396

SCHEMBL29384396

Clc1nc(-c2ccccc2)nc(-c2cccc3sc4ccccc4c23)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ ATM Q13315 1/20 0.35

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
SCHEMBL17524705 1.00 TSHR (0.36) TSHRADORA2AADORA1ADORA3ALOX15
SCHEMBL21707261 0.97 TSHR (0.35) TSHRADORA2AADORA1ADORA3ALOX15
SCHEMBL27362294 0.95 TSHR (0.35) TSHRADORA2AADORA1ADORA3ALOX15
SCHEMBL23437159 0.93 LIMK1 (0.39) TSHRADORA2AADORA1KDM4EPOLB
SCHEMBL24297047 0.93 GPR3 (0.41) KDM4EPOLBCTDSP1HPGDSMN1; SMN2
SCHEMBL24266825 0.93 GPR3 (0.41) TSHRADORA2AADORA1ADORA3ALOX15
SCHEMBL17252438 0.93 GPR3 (0.41) TSHRADORA2AADORA1ADORA3ALOX15
SCHEMBL24810828 0.92 NR1I3 (0.34) ADORA2AADORA1KDM4EPOLBCTDSP1
SCHEMBL22161408 0.92 KDM4E (0.33) TSHRADORA2AADORA1ADORA3ALOX15
SCHEMBL22274202 0.91 LIMK1 (0.37) TSHRADORA2AADORA1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119330945-A Organic compound, organic electroluminescent material and application thereof 北京鼎材科技有限公司 2025-01-21 — — CN disclosed
CN-114805320-B Compound for organic photoelectric device, composition for organic photoelectric device, and display device 三星SDI株式会社 2024-09-13 — — CN disclosed
CN-117659000-A Compound for organic photoelectric device, composition for organic photoelectric device, and display device 三星SDI株式会社 2024-03-08 — — CN disclosed
CN-117355530-A Heterocyclic compound, organic light-emitting element comprising same, and composition for organic layer LT素材株式会社 2024-01-05 — — CN disclosed
WO-2023287026-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER 엘티소재주식회사 2023-01-19 — — WO disclosed
CN-114805320-A Compound for organic photoelectric device, composition for organic photoelectric device, and display device 三星SDI株式会社 2022-07-29 — — CN disclosed
WO-2022031028-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2022-02-10 — — WO disclosed
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