SCHEMBL7145897

SCHEMBL7145897

COc1ccc(CCC(=N)NC#N)cc1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
PDE4B Q07343 10/20 0.47
RECQL P46063 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE4A P27815 8/20 0.45
PDE4C Q08493 6/20 0.45
PDE4D Q08499 6/20 0.45
POLB P06746 1/20 0.43
PDE5A O76074 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
CTSK P43235 1/20 0.42

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
SCHEMBL8576115 0.82 PDE4B (0.53) HDAC1HDAC2PDE4BRECQLMEN1
SCHEMBL7326412 0.79 HDAC1 (0.58) HDAC1HDAC2PDE4BRECQLMEN1
SCHEMBL7323520 0.78 PDE4B (0.54) PDE4BRECQLPDE4APDE4CPDE4D
SCHEMBL8157358 0.77 HDAC1 (0.56) HDAC1HDAC2PDE4BRECQLMEN1
SCHEMBL7324348 0.77 PDE4B (0.56) HDAC1HDAC2PDE4BMEN1KMT2A
SCHEMBL7335293 0.77 PDE4A (0.58) HDAC1HDAC2PDE4BMEN1KMT2A
SCHEMBL5610571 0.77 RECQL (0.61) HDAC1HDAC2PDE4BRECQLPDE4A
SCHEMBL7420826 0.76 PDE4A (0.57) HDAC1HDAC2PDE4BMEN1KMT2A
SCHEMBL3170776 0.76 PDE4B (0.53) PDE4BRECQLPDE4APDE4CPDE4D
SCHEMBL7327718 0.75 HDAC1 (0.59) HDAC1HDAC2PDE4BRECQLMEN1

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-0934280-B1 PDE IV INHIBITING 2-CYANOIMINOIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-04-09 EP disclosed
US-6051718-A A PHOSPHODIESTERASE ENZYME INHIBITOR AND A CYTOKINE ANTAGONIST FOR TREATING ALLERGIC, ATOPIC AND INFLAMMATORY DISEASES INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, N.V. (BE) 2000-04-18 US disclosed