SCHEMBL7397484

SCHEMBL7397484

COc1ccc(CCNc2ccc(N)cc2)cc1OC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.54
CYP19A1 P11511 1/20 0.50
PDE4B Q07343 7/20 0.49
PDE4C Q08493 5/20 0.49
PDE4D Q08499 5/20 0.49
RECQL P46063 1/20 0.48
POLB P06746 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
EPHX1 P07099 1/20 0.45
ATM Q13315 2/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL9272958 0.84 HDAC1 (0.56) PDE4APDE4BPDE4CPDE4DRECQL
SCHEMBL7397257 0.84 KMT2A (0.56) CYP19A1PDE4BPOLBHDAC1HDAC2
SCHEMBL7359707 0.81 POLB (0.68) PDE4APDE4BPDE4CPDE4DRECQL
SCHEMBL7353001 0.81 KDM4E (0.66) PDE4ACYP19A1PDE4BPDE4CPDE4D
SCHEMBL1157387 0.81 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7362499 0.81 ALDH1A1 (0.61) PDE4APDE4BPDE4CPDE4DRECQL
SCHEMBL8571660 0.79 KMT2A (0.61) PDE4APDE4BPDE4CPDE4DRECQL
SCHEMBL6816260 0.77 KMT2A (0.58) PDE4APDE4BPDE4CPDE4DRECQL
SCHEMBL987135 0.77 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7324772 0.76 PDE4B (0.55) PDE4APDE4BPDE4CPDE4DRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538384-A4 OXAMIDES SMITHKLINE BEECHAM CORP (US) 1995-04-12 EP disclosed
US-5393788-A Phenylalkyl oxamides SMITHKLINE BEECHAM CORPORATION (US) 1995-02-28 US disclosed
EP-0538384-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-28 EP disclosed
WO-1992000968-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-23 WO disclosed