Sugi Predict

Sugi Predict / Compounds / SCHEMBL29634644

SCHEMBL29634644

SCHEMBL29634644

Brc1ccccc1-c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CYP2A6 P11509 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ MAOA P21397 2/20 0.42
▸ MAOB P27338 2/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ CYP1A2 P05177 4/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALPL P05186 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
SCHEMBL365314 1.00 ALDH1A1 (0.46) ALDH1A1MAPK1CYP2A6TSHRHSD17B10
Aniline SCHEMBL15366232 0.88 ALDH1A1 (0.42) ALDH1A1MAPK1TSHRHSD17B10TDP1
SCHEMBL13016366 0.85 ALDH1A1 (0.58) ALDH1A1MAPK1CA12CA1CA2
SCHEMBL23187820 0.85 ALDH1A1 (0.50) ALDH1A1MAPK1CYP2A6TSHRHSD17B10
SCHEMBL29350007 0.84 ALDH1A1 (0.59) ALDH1A1MAPK1CYP2A6TSHRHSD17B10
SCHEMBL27953 0.84 ALDH1A1 (0.59) ALDH1A1MAPK1CYP2A6TSHRHSD17B10
SCHEMBL25302086 0.84 ALDH1A1 (0.59) ALDH1A1MAPK1CYP2A6TSHRHSD17B10
SCHEMBL29490404 0.84 CYP1A2 (0.52) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL1776407 0.84 HKDC1 (0.46) ALDH1A1MAPK1CYP2A6TSHRHSD17B10
SCHEMBL947346 0.84 CYP1A2 (0.52) ALDH1A1CYP2A6TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728948-B Compound for organic electronic element, organic electronic element using the same, and electronic device using the same 德山新勒克斯有限公司 2024-12-03 — — CN disclosed
CN-118974007-A Tetrahydronaphthalene derivatives 阿创森制药股份有限公司 2024-11-15 — — CN disclosed
CN-118745171-A Compound for organic electronic element, organic electronic element using the same, and electronic device using the same 德山新勒克斯有限公司 2024-10-08 — — CN disclosed
CN-118271283-A Synthesis method of 9, 10-dithio (hetero) phenanthrene 中南大学 2024-07-02 — — CN disclosed
CN-117567443-A Compound for organic electronic element, organic electronic element using the same, and electronic device using the same 德山新勒克斯有限公司 2024-02-20 — — CN disclosed
CN-117567445-A Compound for organic electronic element, organic electronic element using the same, and electronic device using the same 德山新勒克斯有限公司 2024-02-20 — — CN disclosed
CN-111138342-B Novel compound and organic electroluminescent device comprising the same 乐金显示有限公司 2023-10-31 — — CN disclosed
CN-111834535-B organic electroluminescent device 乐金显示有限公司 2023-09-01 — — CN disclosed
CN-116283863-A Material for organic electroluminescent device 默克专利有限公司 2023-06-23 — — CN disclosed
CN-116283864-A Material for organic electroluminescent device 默克专利有限公司 2023-06-23 — — CN disclosed
CN-109195951-B Material for organic electroluminescent device 默克专利有限公司 2023-03-31 — — CN disclosed
CN-111146349-B Organic compound and organic electroluminescent device comprising the same 乐金显示有限公司 2022-12-23 — — CN disclosed
CN-114867713-A Arylamine compound and organic electroluminescent element 保土谷化学工业株式会社 2022-08-05 — — CN disclosed
CN-109790462-B Organic light-emitting element having long life, low voltage, and high efficiency characteristics SFC株式会社 2022-06-28 — — CN disclosed