SCHEMBL6661728

SCHEMBL6661728

COc1cc(C=Cc2cc(C(F)(F)F)nc(=O)[nH]2)c(Cl)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.39
NOD1 Q9Y239 2/20 0.39
KDM4E B2RXH2 5/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CXCL12 P48061 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
CYP1A1 P04798 2/20 0.35
CYP1B1 Q16678 2/20 0.35
DPP4 P27487 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HSPA1A P0DMV8 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 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
SCHEMBL6664825 1.00 TNF (0.39) TNFNOD1KDM4EMAPTALDH1A1
SCHEMBL6597415 0.83 PDE3B (0.44) KDM4EMAPTALDH1A1LMNAPDE3B
SCHEMBL6597409 0.83 PDE3B (0.44) KDM4EMAPTALDH1A1LMNAPDE3B
SCHEMBL6594487 0.80 TNF (0.64) TNFNOD1KDM4EMAPTALDH1A1
SCHEMBL6594489 0.80 TNF (0.64) TNFNOD1KDM4EMAPTALDH1A1
SCHEMBL6665807 0.77 KDM4E (0.55) KDM4EMAPTALDH1A1LMNAPDE3B
SCHEMBL6665608 0.77 KDM4E (0.55) KDM4EMAPTALDH1A1LMNAPDE3B
SCHEMBL6589681 0.75 KDM4E (0.63) KDM4EMAPTALDH1A1LMNAPDE3B
SCHEMBL6589679 0.75 KDM4E (0.63) KDM4EMAPTALDH1A1LMNAPDE3B
SCHEMBL6593056 0.74 APP (0.50) KDM4EMAPTALDH1A1KMT2AMEN1

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
WO-2004016271-A1 PYRIMIDONES AS ANTIVIRAL AGENTS AXXIMA PHARMACEUTICALS AG (DE) 2004-02-26 WO claimed
WO-2004016271-A1 PYRIMIDONES AS ANTIVIRAL AGENTS AXXIMA PHARMACEUTICALS AG (DE) 2004-02-26 WO disclosed