SCHEMBL14101714

SCHEMBL14101714

COc1ccc(-c2nn(-c3cc(N4CCCC4)ccc3C(F)(F)F)c(=O)c3c2CCC3)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.48
PDE4B Q07343 3/20 0.48
PDE4C Q08493 3/20 0.48
PDE4D Q08499 3/20 0.48
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
UGCG Q16739 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIM1 P11309 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
S1PR1 P21453 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 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
SCHEMBL14101796 0.91 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL4719411 0.89 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DUGCG
SCHEMBL4719416 0.89 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DUGCG
SCHEMBL14101745 0.88 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL4724195 0.85 F10 (0.42) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4722495 0.84 F10 (0.44) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4724509 0.83 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL14101882 0.83 KDM4E (0.39) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL14101798 0.82 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL14101702 0.82 F10 (0.40) PDE4APDE4BPDE4CPDE4DMAPT

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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed