SCHEMBL7531253

SCHEMBL7531253

CC1C(c2ccc(N3CCSCC3)c(F)c2)=NOC1Nc1ccon1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK10 P53779 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CSF1R P07333 1/20 0.32
CDK6 Q00534 1/20 0.32
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL7533416 0.79 PDE3B (0.37) PDE3BPDE3AMAOAMAOBALDH1A1
SCHEMBL5654974 0.74 MIF (0.39) MAOAMAOB
SCHEMBL5654967 0.74 MIF (0.39) MAOAMAOB
SCHEMBL5865856 0.67 CSF1R (0.33) PDE3BPDE3AMAOAMAOBALDH1A1
SCHEMBL5654140 0.66 MIF (0.39) PDE3BPDE3AMAOAMAOBALDH1A1
SCHEMBL5654137 0.66 MIF (0.39) PDE3BPDE3AMAOAMAOBALDH1A1
SCHEMBL5865860 0.65 MIF (0.39) ALDH1A1ALOX15MAPK10HSD17B10
SCHEMBL5865858 0.65 MIF (0.39) ALDH1A1ALOX15MAPK10HSD17B10
SCHEMBL7472789 0.64 CYP2E1 (0.39) PDE3BPDE3AMAOAMAOB
SCHEMBL5655207 0.63 MIF (0.45) MAOAMAOBALDH1A1

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-1242416-A1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001040222-A1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2001-06-07 WO disclosed