SCHEMBL7094594

SCHEMBL7094594

O=C1CCN(c2ccc(Cl)c(Cl)c2)N1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.67
G6PD P11413 1/20 0.56
ALOX15 P16050 1/20 0.56
ALOX12 P18054 1/20 0.56
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
ADRB1 P08588 1/20 0.46
GLP1R P43220 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL7095931 0.85 ALOX5 (0.66) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL2379976 0.80 ALOX5 (1.00) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL3987095 0.79 ALOX5 (1.00) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL10875404 0.76 ALOX5 (0.67) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL28937147 0.76 ALOX5 (0.62) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL8662838 0.75 ALOX5 (0.66) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL2382690 0.73 ALOX5 (1.00) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL11140093 0.73 ALOX5 (0.68) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL11060756 0.73 ALOX5 (0.68) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL9645399 0.72 ALOX5 (0.63) ALOX5G6PDALOX15ALOX12PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003322-B Pyrazole ether compound as well as preparation method and application thereof 南通泰禾化工股份有限公司 2024-05-31 CN disclosed
CN-116003322-A Pyrazole ether compound as well as preparation method and application thereof 南通泰禾化工股份有限公司 2023-04-25 CN disclosed
WO-2023284761-A1 PYRAZOLE ETHER COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 南通泰禾化工股份有限公司 2023-01-19 WO disclosed
EP-0946514-B1 METHOD FOR PRODUCING N-SUBSTITUTED 3-HYDROXYPYRAZOLES BASF AG (DE) 2003-05-02 EP disclosed
US-6040458-A Method for producing N-substituted 3-hydroxypyrazoles BASF AKTIENGESELLSCHAFT (DE) 2000-03-21 US disclosed