SCHEMBL5314422

SCHEMBL5314422

O=C(n1ccnc1)C(Cl)(Cl)Cl

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CYP19A1 P11511 2/20 0.35
EGLN3 Q9H6Z9 1/20 0.34
MAPT P10636 2/20 0.34
CYP24A1 Q07973 1/20 0.34
FAAH O00519 2/20 0.33
MGLL Q99685 2/20 0.33
HTT P42858 1/20 0.32
FDPS P14324 1/20 0.32
LMNA P02545 1/20 0.31
TBXAS1 P24557 2/20 0.31
NFKB1 P19838 1/20 0.31
QPCT Q16769 1/20 0.31
HSD17B10 Q99714 1/20 0.31
QPCTL Q9NXS2 1/20 0.31

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
SCHEMBL27611072 0.80 TBXAS1 (0.36) ALDH1A1CYP19A1EGLN3MAPTCYP24A1
SCHEMBL156615 0.78 MAPT (0.37) ALDH1A1CYP19A1EGLN3MAPTCYP24A1
SCHEMBL13446154 0.78 L3MBTL1 (0.40) ALDH1A1CYP19A1EGLN3MAPTCYP24A1
SCHEMBL4616972 0.78 CYP24A1 (0.43) ALDH1A1EGLN3MAPTCYP24A1FAAH
SCHEMBL14219626 0.77 NFKB1 (0.39) ALDH1A1EGLN3MAPTCYP24A1HTT
SCHEMBL7789777 0.75 CYP24A1 (0.38) ALDH1A1EGLN3MAPTCYP24A1FAAH
SCHEMBL3027719 0.75 L3MBTL1 (0.38) ALDH1A1CYP19A1EGLN3MAPTCYP24A1
SCHEMBL14219610 0.75 CYP24A1 (0.38) ALDH1A1EGLN3MAPTCYP24A1FAAH
SCHEMBL20996818 0.75 MAPT (0.36) ALDH1A1CYP19A1EGLN3MAPTCYP24A1
SCHEMBL9610803 0.75 CYP24A1 (0.38) ALDH1A1EGLN3MAPTCYP24A1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778206-A Preparation method and application of high-absorption chrome tanning auxiliary agent containing ketosulfonate structure 南京工业大学 2021-05-11 CN claimed
CN-112778206-B Preparation method and application of high-absorption chrome tanning auxiliary containing ketosulfonate structure 南京工业大学 2023-01-17 CN disclosed
CN-112778206-A Preparation method and application of high-absorption chrome tanning auxiliary agent containing ketosulfonate structure 南京工业大学 2021-05-11 CN disclosed
WO-2007045096-A1 OLIGOHETEROAROMATIC LUMINISCENT ASSEMBLIES AS HIGH-AFFINITY DNA SEQUENCE-DIRECTED LIGANDS UNIVERSITY OF SASKATCHEWAN (CA) 2007-04-26 WO disclosed
US-6103883-A Glycolipid mimics and methods of use thereof HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2000-08-15 US disclosed
US-5973128-A Glycolipid mimics and methods of use thereof THE HOSPITAL FOR SICK CHILDREN RESEARCH AND DEVELOPMENT LP (CA) 1999-10-26 US disclosed
WO-1999043356-A1 ANTIBIOTIC-LIGAND CONJUGATES AND METHODS OF USE THEREOF HSC RESEARCH DEVELOPMENT LIMITED PARTNERSHIP (CA) 1999-09-02 WO disclosed
WO-1998037915-A1 ANTIBIOTIC-LIGAND CONJUGATES AND METHODS OF USE THEREOF HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 1998-09-03 WO disclosed
WO-1998023627-A1 GLYCOLIPID MIMICS AND METHODS OF USE THEREOF HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 1998-06-04 WO disclosed
US-4804665-A NERVOUS SYSTEM DISORDERS; COGNITION ACTIVATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-02-14 US disclosed
EP-0273659-A1 Azaspiro compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-07-06 EP disclosed
US-4016166-A ANTIINFLAMMATORY AGENTS, ANALGESICS, CNS DEPRESSANTS HISAMITSU PHARMACEUTICAL CO., INC. (JA) 1977-04-05 US disclosed