Sugi Predict

Sugi Predict / Compounds / SCHEMBL6450865

SCHEMBL6450865

SCHEMBL6450865

CCCC(Br)CC(=O)CC(Br)CCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ AKR1A1 P14550 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ TSHR P16473 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ LCK P06239 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ ZDHHC20 Q5W0Z9 1/20 0.37
▸ ZDHHC2 Q9UIJ5 1/20 0.37

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
SCHEMBL29244176 0.90 TDP1 (0.41) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL27737050 0.83 LCK (0.52) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL3825493 0.82 — —
SCHEMBL4854850 0.82 — —
SCHEMBL1780149 0.82 — —
SCHEMBL2002867 0.80 — —
SCHEMBL9869453 0.80 — —
SCHEMBL9398478 0.77 MAPT (0.36) TDP1TSHRLCKPPARDZDHHC20
SCHEMBL5197011 0.77 CHRM1 (0.34) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL852674 0.75 ALDH1A1 (0.46) TDP1CHRM1TSHRCYP3A4ZDHHC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112239424-A Preparation method of aristolochia alkaloids and intermediate thereof 温州医科大学 2021-01-19 — — CN claimed
CN-112239426-A Preparation method of N- (2-aroylmethylnaphthalene) quinoline-2-formamide analogue 温州医科大学 2021-01-19 — — CN claimed
CN-117486681-A Preparation method of 3-aryl/alkyl-beta-anisole compound 中国海洋石油集团有限公司 2024-02-02 — — CN disclosed
CN-112939903-B Method for preparing furan compounds from bromoaryl ketone 重庆医科大学 2023-05-26 — — CN disclosed
CN-115304527-A Method for preparing alpha-sulfur difluoro ester ketone/ester and product 浙江师范大学 2022-11-08 — — CN disclosed
CN-112239424-B Preparation method of aristolochia alkaloids and intermediate thereof 温州医科大学 2022-06-21 — — CN disclosed
CN-112239424-B Preparation method of aristolochia alkaloids and intermediate thereof 温州医科大学 2022-06-21 — — CN disclosed
CN-112239424-A Preparation method of aristolochia alkaloids and intermediate thereof 温州医科大学 2021-01-19 — — CN disclosed
CN-112239424-A Preparation method of aristolochia alkaloids and intermediate thereof 温州医科大学 2021-01-19 — — CN disclosed
CN-112239426-A Preparation method of N- (2-aroylmethylnaphthalene) quinoline-2-formamide analogue 温州医科大学 2021-01-19 — — CN disclosed
CN-112239426-A Preparation method of N- (2-aroylmethylnaphthalene) quinoline-2-formamide analogue 温州医科大学 2021-01-19 — — CN disclosed
CN-111018800-A N2Aryl-substituted-1, 2, 4-triazine derivative and synthesis and application thereof 中国科学院大连化学物理研究所 2020-04-17 — — CN disclosed
US-20050069492-A1 Imidazo [2,1-b]-1,3,4-thiadiazole suflonamides PHARMASCIENCE INC. (CA) 2005-03-31 — — US disclosed
EP-1463735-A1 IMIDAZO[2,1-B]-1,3,4-THIADIAZOLE SULFONAMIDES Aegera Therapeutics Inc. (CA) 2004-10-06 — — EP disclosed
WO-2003051890-A1 IMIDAZO [2,1-B]-1,3,4-THIADIAZOLE SUFLONAMIDES AEGERA THERAPEUTICS INC. (CA) 2003-06-26 — — WO disclosed
US-5516647-A 6-PHENYL-IMIDAZO(2,1-B)THIAZOLES ABBOTT LABORATORIES (US) 1996-05-14 — — US disclosed