SCHEMBL28938233

SCHEMBL28938233

OBc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.50
▸ ADORA1 P30542 3/20 0.50
▸ ADORA3 P0DMS8 2/20 0.50
▸ ADORA2B P29275 2/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ POLB P06746 2/20 0.41
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ CHUK O15111 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ TXNRD1 Q16881 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL15693721 0.79 ALDH1A1 (0.48) MEN1KMT2AALDH1A1HPGDCASP3
SCHEMBL18662233 0.79 L3MBTL1 (0.61) ADORA2AADORA1ADORA3ADORA2BALOX15
SCHEMBL16246145 0.79 L3MBTL1 (0.61) ADORA2AADORA1ADORA3ADORA2BALOX15
SCHEMBL21012174 0.77 L3MBTL1 (0.54) ADORA2AADORA1ADORA3ADORA2BALOX15
SCHEMBL19497485 0.77 L3MBTL1 (0.58) ADORA2AADORA1ADORA3ADORA2BALOX15
SCHEMBL12853994 0.77 L3MBTL1 (0.58) ADORA2AADORA1ADORA3ADORA2BALOX15
SCHEMBL19497486 0.77 L3MBTL1 (0.58) ADORA2AADORA1ADORA3ADORA2BALOX15
SCHEMBL21922946 0.74 L3MBTL1 (0.56) ADORA2AADORA1ADORA3ADORA2BALOX15
SCHEMBL7577322 0.74 TSHR (0.82) ADORA2AADORA1ADORA3ADORA2BALOX15
SCHEMBL29481861 0.74 TSHR (0.82) ADORA2AADORA1ADORA3ADORA2BALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111410657-B Luminescent material and application thereof 北京鼎材科技有限公司 2024-05-21 — — CN disclosed
CN-111769199-B Novel organic electroluminescent device 固安鼎材科技有限公司 2024-03-08 — — CN disclosed
CN-111233890-B Luminescent material and application thereof 北京鼎材科技有限公司 2023-01-17 — — CN disclosed
CN-113968859-A Multi-element fused ring compound and application thereof in organic electroluminescent device 北京鼎材科技有限公司 2022-01-25 — — CN disclosed
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