SCHEMBL22688456

SCHEMBL22688456

Brc1cccc2oc3ccc4ccccc4c3c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ ABCG2 Q9UNQ0 4/20 0.41
▸ AHR P35869 3/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ PAX8 Q06710 2/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ MAPK3 P27361 1/20 0.41
▸ HNF4A P41235 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 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
SCHEMBL29349671 1.00 TDP1 (0.46) TDP1L3MBTL1ABCG2AHRCYP1A2
SCHEMBL29464025 0.87 TDP1 (0.45) TDP1L3MBTL1AHRCYP1A2CYP1A1
SCHEMBL13935797 0.84 TDP1 (0.52) TDP1L3MBTL1ABCG2AHRCYP1A2
SCHEMBL415466 0.84 TDP1 (0.55) TDP1L3MBTL1ABCG2AHRCYP1A2
SCHEMBL30091394 0.84 TDP1 (0.55) TDP1L3MBTL1ABCG2AHRCYP1A2
SCHEMBL21019890 0.80 TDP1 (0.61) TDP1L3MBTL1ABCG2AHRCYP1A2
SCHEMBL19080429 0.80 AHR (0.44) TDP1L3MBTL1ABCG2AHRCYP1A2
SCHEMBL30429995 0.80 TDP1 (0.41) TDP1L3MBTL1ABCG2AHRCYP1A2
SCHEMBL17383068 0.80 TDP1 (0.41) TDP1L3MBTL1ABCG2AHRCYP1A2
SCHEMBL662611 0.80 ALDH1A1 (0.54) TDP1L3MBTL1AHRCYP1A2CYP1A1

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
WO-2024096383-A1 ORGANIC ELECTRONIC DEVICE COMPRISING PLURALITY OF LIGHT-EMITTING AUXILIARY LAYERS, AND ELECTRONIC APPARATUS THEREFOR 덕산네오룩스 주식회사 2024-05-10 — — WO disclosed
WO-2023140529-A1 ORGANIC ELECTRIC ELEMENT USING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-07-27 — — WO disclosed
WO-2021150094-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2021-07-29 — — WO disclosed
WO-2020231197-A1 ORGANIC ELECTRIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-11-19 — — WO disclosed
Send feedback