SCHEMBL10532292

SCHEMBL10532292

CC1(C)OC(=O)N(Cc2ccccc2)c2cc3nc(-c4ccncc4)[nH]c3cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
PGR P06401 1/20 0.46
ELANE P08246 1/20 0.44
CTSG P08311 1/20 0.44
PRTN3 P24158 1/20 0.44
RHEB Q15382 1/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL10534136 0.90 ALDH1A1 (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10531240 0.88 SLC2A1 (0.44) PGRELANECTSGPRTN3ALDH1A1
SCHEMBL10530376 0.87 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10532566 0.85 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10534306 0.85 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10646224 0.84 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10534168 0.84 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10646624 0.82 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10694210 0.82 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
Water SCHEMBL10532213 0.81 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B

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
US-4831027-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1989-05-16 US disclosed
EP-0263352-A1 Imidazo-benzoxazinones, their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1988-04-13 EP disclosed