SCHEMBL6233098

SCHEMBL6233098

COc1ccc(C2C=NN(C)C(=O)C2)cc1OC1Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.46
PDE4B Q07343 14/20 0.46
PDE4C Q08493 12/20 0.46
PDE4D Q08499 12/20 0.46
RAB9A P51151 1/20 0.40
CYP3A4 P08684 2/20 0.39
VEGFA P15692 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CREBBP Q92793 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PDE5A O76074 1/20 0.39
TNF P01375 1/20 0.39
MAPK1 P28482 1/20 0.39
BLM P54132 1/20 0.39
PDE1A P54750 1/20 0.39

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
SCHEMBL6227674 0.87 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL6228022 0.79 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL6227157 0.78 SIGMAR1 (0.48) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6234381 0.77 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6230195 0.77 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6232717 0.77 PDE4B (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL6232676 0.77 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL6232071 0.76 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6231023 0.75 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6229121 0.75 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0933366-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVES AND DRUG COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2005-04-06 EP disclosed
US-6235739-B1 ANTIINFLAMMATORY AGENTS; ANTIHISTAMINES; SKIN DISORDERS NIKKEN CHEMICALS CO., LTD. (JP) 2001-05-22 US disclosed
EP-0933366-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVES AND DRUG COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-08-04 EP disclosed