SCHEMBL29689592

SCHEMBL29689592

Brc1ccc2c(c1)Oc1cc(Br)ccc1N2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 6/20 0.58
▸ ALOX5 P09917 2/20 0.46
▸ TGM2 P21980 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PDPK1 O15530 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ SNCA P37840 1/20 0.36
▸ CMA1 P23946 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ HTR2C P28335 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
SCHEMBL1985922 1.00 AHR (0.58) AHRALOX5TGM2CES1CA12
Benzene SCHEMBL28149598 0.96 AHR (0.54) AHRALOX5TGM2CES1CA12
SCHEMBL46736 0.92 AHR (0.56) AHRALOX5TGM2CES1CA12
SCHEMBL30839233 0.90 ALOX5 (0.65) AHRALOX5LMNAMAPTHTR2B
SCHEMBL13833013 0.90 ALOX5 (0.65) AHRALOX5LMNAMAPTHTR2B
SCHEMBL13082340 0.88 AHR (0.47) AHRALOX5TGM2CES1CA12
SCHEMBL28731967 0.84 AHR (0.47) AHRALOX5
SCHEMBL30869575 0.80 AHR (0.42) AHRALOX5TGM2CES1CA12
SCHEMBL30869584 0.80 AHR (0.42) AHRALOX5TGM2CES1CA12
SCHEMBL10171010 0.80 TGM2 (0.54) AHRTGM2CES1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119505187-A Azaanthracene organic polymer, preparation method and application thereof 深圳睿迅有机太阳能有限公司 2025-02-25 — — CN claimed
CN-120157679-A Dendritic luminescent material based on space charge transfer, preparation method and application 长春理工大学 2025-06-17 — — CN disclosed
CN-119505187-A Azaanthracene organic polymer, preparation method and application thereof 深圳睿迅有机太阳能有限公司 2025-02-25 — — CN disclosed
CN-114539287-B Polycyclic aromatic compound and application thereof in electroluminescent device 清华大学 2024-11-15 — — CN disclosed
CN-118812594-A Self-assembled phosphonic acid molecule with double functions, and preparation and application thereof 华中科技大学 2024-10-22 — — CN disclosed
CN-118652274-A Organic micromolecular hole transport material and preparation method and application thereof 中茂绿能科技(西安)有限公司 2024-09-17 — — CN disclosed
CN-111018837-B Organic compound, OLED having the same, and organic light emitting device 乐金显示有限公司 2023-04-28 — — CN disclosed
CN-114539287-A Polycyclic aromatic compound and application thereof in electroluminescent device 清华大学 2022-05-27 — — CN disclosed
Send feedback