SCHEMBL8824294

SCHEMBL8824294

COc1ccc(C(O)(c2ccc(OC)cc2)c2cccc(C3=NC(C)(C)CO3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
CYP17A1 P05093 1/20 0.36
CYP3A4 P08684 1/20 0.36
IL2 P60568 1/20 0.36
CYP19A1 P11511 3/20 0.36
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
AHR P35869 1/20 0.35

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
SCHEMBL8824308 0.88 HRH3 (0.43) HRH3KDM4ELMNAMAPTCYP19A1
SCHEMBL8824306 0.88 HRH3 (0.46) HRH3KDM4ELMNAMAPTHTT
SCHEMBL8824282 0.83 HRH3 (0.43) HRH3KDM4ELMNAMAPTHTT
SCHEMBL1996001 0.80 KDM4E (0.51) HRH3KDM4ELMNAMAPTHTT
SCHEMBL8824283 0.79 KDM4E (0.46) HRH3KDM4ELMNAMAPTHTT
SCHEMBL3508886 0.78 KDM4E (0.42) HRH3KDM4ELMNAMAPTHTT
SCHEMBL6587925 0.77 HRH3 (0.54) HRH3KDM4ELMNAMAPTHTT
SCHEMBL8443277 0.76 CYP1A1 (0.56) HRH3KDM4ELMNAMAPTHTT
SCHEMBL471881 0.75 KDM4E (0.62) HRH3KDM4ELMNAMAPTHTT
SCHEMBL20410843 0.72 KDM4E (0.59) HRH3KDM4ELMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5612474-A ANTIBODIES AND IMMUNOLOGY ELI LILLY AND COMPANY (US) 1997-03-18 US disclosed