SCHEMBL20104252

SCHEMBL20104252

CCCCCc1c(Cl)cncc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TYMP P19971 3/20 0.39
KCNH2 Q12809 1/20 0.36
HSD11B1 P28845 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
GCGR P47871 1/20 0.35
TBXAS1 P24557 1/20 0.34
CYP19A1 P11511 1/20 0.33
CYP3A4 P08684 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CFTR P13569 1/20 0.33
BDKRB2 P30411 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL18814185 0.84 ALDH1A1 (0.34) TYMPHRH3PDE4APDE4BPDE4C
SCHEMBL9073051 0.76 TAAR1 (0.52) TYMPKCNH2HSD11B1CFTR
SCHEMBL8308252 0.74 MEN1 (0.51) TYMPKCNH2HSD11B1TBXAS1CYP3A4
SCHEMBL10079575 0.74 PDE4D (0.35) PDE4APDE4BPDE4CPDE4DBDKRB2
SCHEMBL8995833 0.74 TDP1 (0.38) TDP1L3MBTL1KCNH2HRH3TBXAS1
SCHEMBL11708464 0.72 PTGS2 (0.55) TBXAS1CYP19A1CYP3A4PTGS2
SCHEMBL2509554 0.72 TYMP (0.50) TYMP
SCHEMBL19986675 0.71 BDKRB2 (0.34) PDE4APDE4BPDE4CPDE4DBDKRB2
SCHEMBL17056904 0.70 PDE4D (0.30) PDE4D
SCHEMBL6514186 0.70 PDE4D (0.30) PDE4D

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-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed