SCHEMBL8868624

SCHEMBL8868624

O=CCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.53
HRH4 Q9H3N8 1/20 0.45
TK2 O00142 9/20 0.43
TK1 P04183 1/20 0.43
DUT P33316 2/20 0.40
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
SLC6A1 P30531 1/20 0.37
AOX1 Q06278 1/20 0.36
HDAC6 Q9UBN7 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL9039609 0.89 KIF11 (0.57) KIF11HRH4TK2TK1DUT
SCHEMBL887487 0.82 SLC6A11 (0.44) KIF11TK2TK1SLC6A1
SCHEMBL22708323 0.81 KIF11 (0.53) KIF11HRH4TK2TK1DUT
SCHEMBL11275984 0.77 KIF11 (0.74) KIF11HRH4TK2TK1DUT
SCHEMBL7524693 0.76 KIF11 (0.50) KIF11HRH4TK2TK1DUT
SCHEMBL20032416 0.75 KIF11 (0.50) KIF11HRH4TK2TK1DUT
SCHEMBL20032440 0.75 KIF11 (0.50) KIF11HRH4TK2TK1DUT
SCHEMBL2489713 0.75 KIF11 (0.59) KIF11HRH4TK2TK1DUT
SCHEMBL8389233 0.75 KIF11 (0.59) KIF11HRH4TK2TK1DUT
SCHEMBL5282316 0.75 KIF11 (0.59) KIF11HRH4TK2TK1DUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989173-B Imidazole compound, pharmaceutical composition and application thereof 广州市恒诺康医药科技有限公司 2024-03-19 CN disclosed
WO-2022184000-A1 IMIDAZOLE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 广州市恒诺康医药科技有限公司 2022-09-09 WO disclosed
CN-114989173-A Imidazole compound, pharmaceutical composition and application thereof 广州市恒诺康医药科技有限公司 2022-09-02 CN disclosed
US-5665746-A BACTERICIDE HOFFMANN-LA ROCHE INC. (US) 1997-09-09 US disclosed
US-5594135-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1997-01-14 US disclosed
US-5589473-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1996-12-31 US disclosed
EP-0675122-A2 Mono or bicyclic DNA gyrase inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1995-10-04 EP disclosed