SCHEMBL8705605

SCHEMBL8705605

COc1ccc(CCc2c[nH]c(=O)n2C)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.52
DAO P14920 1/20 0.49
CYP19A1 P11511 1/20 0.48
NR1H3 Q13133 3/20 0.47
HTT P42858 2/20 0.47
NR1H2 P55055 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ATM Q13315 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 2/20 0.45
PAX8 Q06710 1/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 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
SCHEMBL31157848 0.74 CYP19A1 (0.77) HSP90AA1DAOCYP19A1ATMKDM4E
SCHEMBL16641094 0.74 CYP19A1 (0.77) HSP90AA1DAOCYP19A1ATMKDM4E
SCHEMBL10335393 0.73 CYP19A1 (0.81) HSP90AA1CYP19A1NR1H3NR1H2ATM
SCHEMBL7316109 0.72 PDE4B (0.74) HSP90AA1DAOHTTLMNASMN1; SMN2
SCHEMBL7316582 0.70 PDE4B (0.65) HSP90AA1DAOHTTLMNASMN1; SMN2
SCHEMBL14678150 0.69 HSP90AA1 (1.00) HSP90AA1HTTLMNASMN1; SMN2ATM
SCHEMBL11291196 0.69 CYP19A1 (0.50) DAOCYP19A1LMNASMN1; SMN2ATM
SCHEMBL5447780 0.68 CYP19A1 (0.67) HSP90AA1CYP19A1SMN1; SMN2ATMKDM4E
SCHEMBL296592 0.68 ATM (0.66) HSP90AA1CYP19A1SMN1; SMN2ATMKDM4E
SCHEMBL4285168 0.68 HSP90AA1 (0.61) HSP90AA1HTTLMNASMN1; SMN2KDM4E

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
EP-0819122-A1 1,3-DIHYDRO-1-(PHENYLALKYL)-2H-IMIDAZOL-2-ONE DERIVATIVES HAVING PDEIV AND CYTOKINE ACTIVITY JANSSEN PHARMACEUTICA N.V. (BE) 1998-01-21 EP disclosed
WO-1996031485-A1 1,3-DIHYDRO-1-(PHENYLALKYL)-2H-IMIDAZOL-2-ONE DERIVATIVES HAVING PDEIV AND CYTOKINE ACTIVITY JANSSEN PHARMACEUTICA N.V. (BE) 1996-10-10 WO disclosed