SCHEMBL8405089

SCHEMBL8405089

C#CC(OC(C#C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CES1 P23141 1/20 0.38
CYP19A1 P11511 1/20 0.38
PYCR1 P32322 1/20 0.38
IDO1 P14902 1/20 0.38
HSPB1 P04792 1/20 0.38

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
SCHEMBL10828901 0.79 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL6963691 0.76 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL460871 0.74 ALDH1A1 (0.50) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL14556308 0.71 MAPT (0.50) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL1047553 0.71 MAPT (0.70) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL28462836 0.70 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL378398 0.70 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL22567 0.69 ALDH1A1 (0.72) ALDH1A1TSHRMAPK1TDP1ACHE
SCHEMBL27909482 0.69 ALDH1A1 (0.72) ALDH1A1TSHRMAPK1TDP1ACHE
SCHEMBL10495741 0.69 MAPT (0.45) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109336829-B Aryl formamide compound containing 1,2, 3-triazole structure and application thereof 沈阳药科大学 2022-03-01 CN disclosed
CN-109096212-B Method for synthesizing 5-I-1,2, 3-triazole compound by water phase one-pot method 河南师范大学 2021-07-13 CN disclosed
CN-109012750-B Cuprous oxide catalytic system suitable for aqueous phase click reaction and preparation method and application thereof 河南师范大学 2020-12-25 CN disclosed
EP-0567993-B1 Thermosetting imide oligomer and manufacturing method of heat resistant laminated sheet using the same KANEGAFUCHI CHEMICAL IND (JP) 1999-07-14 EP disclosed
US-5397419-A Dissolving in solvent, coating or impregnation to form prepreg, heating, pressurization; heat resistant paints, electronics KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1995-03-14 US disclosed
EP-0567993-A1 Thermosetting imide oligomer and manufacturing method of heat resistant laminated sheet using the same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-11-03 EP disclosed