SCHEMBL5822248

SCHEMBL5822248

CCc1cccc(-c2sc(N3CCC(N(C)C)C3)nc2-c2ccc(F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2D6 P10635 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
MCHR1 Q99705 4/20 0.37
CHEK2 O96017 2/20 0.37
PDE2A O00408 1/20 0.36
MAPK14 Q16539 1/20 0.36
HTR1D P28221 2/20 0.36
HTR3A P46098 2/20 0.36
HTR6 P50406 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36

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
SCHEMBL5798480 0.71 MAPK13 (0.40) KDM4EALDH1A1CYP3A4HPGDTSHR
SCHEMBL5795957 0.71 MCHR1 (0.37) KDM4EALDH1A1CYP3A4HPGDTSHR
SCHEMBL5795738 0.71 MAPK13 (0.46) KDM4EALDH1A1CYP3A4HPGDTSHR
SCHEMBL5798785 0.71 KDM4E (0.36) KDM4EALDH1A1CYP3A4HPGDTSHR
SCHEMBL5817772 0.70 MAPK13 (0.40) KDM4EALDH1A1CYP3A4HPGDTSHR
SCHEMBL5796380 0.70 MAPK11 (0.39) KDM4EALDH1A1CYP3A4HPGDTSHR
SCHEMBL5795724 0.70 MAPK13 (0.37) KDM4EALDH1A1CYP3A4HPGDTSHR
SCHEMBL5799224 0.70 MAPK13 (0.37) KDM4EALDH1A1CYP3A4HPGDTSHR
SCHEMBL5813023 0.70 CYP2C9 (0.37) KDM4EALDH1A1CYP3A4HPGDTSHR
SCHEMBL5795722 0.68 MCHR1 (0.36) KDM4EALDH1A1CYP3A4HPGDTSHR

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
WO-2006038734-A1 PYRIDAZINONE DERIVATIVES CYTOKINES INHIBITORS ASTELLAS PHARMA INC. (JP) 2006-04-13 WO disclosed