SCHEMBL5404504

SCHEMBL5404504

Nc1ccccc1Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.96
KDM4E B2RXH2 2/20 0.96
CRHBP P24387 1/20 0.96
CRHR2 Q13324 1/20 0.96
ALDH1A1 P00352 4/20 0.46
ADRA2B P18089 1/20 0.46
PTGS1 P23219 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 2/20 0.46
RCE1 Q9Y256 1/20 0.46
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
IKBKB O14920 1/20 0.40
BRAF P15056 1/20 0.40
CYP2C19 P33261 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL1341306 0.81 KDM4E (0.70) MAPTKDM4ECRHBPCRHR2ALDH1A1
SCHEMBL29508342 0.78 KDM4E (0.65) MAPTKDM4ECRHBPCRHR2ALDH1A1
SCHEMBL81185 0.78 KDM4E (0.65) MAPTKDM4ECRHBPCRHR2ALDH1A1
SCHEMBL30979203 0.78 KDM4E (0.65) MAPTKDM4ECRHBPCRHR2ALDH1A1
SCHEMBL1339920 0.78 KDM4E (0.66) MAPTKDM4ECRHBPCRHR2ALDH1A1
SCHEMBL16892543 0.77 KDM4E (0.59) MAPTKDM4ECRHBPCRHR2ALDH1A1
Hydrochloric Acid SCHEMBL11737056 0.76 KDM4E (0.62) MAPTKDM4ECRHBPCRHR2ALDH1A1
SCHEMBL1361220 0.76 KDM4E (0.62) MAPTKDM4ECRHBPCRHR2ALDH1A1
SCHEMBL6289306 0.76 KDM4E (0.62) MAPTKDM4ECRHBPCRHR2ALDH1A1
SCHEMBL6293125 0.76 KDM4E (0.62) MAPTKDM4ECRHBPCRHR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253133-B2 Catalyst for polymerization or copolymerization of olefins, preparation and use of the same SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2007-08-07 US disclosed
US-20050004331-A1 Catalyst for polymerization or copolymerization of olefins, preparation and use of the same SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2005-01-06 US disclosed