SCHEMBL5795722

SCHEMBL5795722

CN(C)C1CCN(c2nc(-c3ccc(F)cc3)c(-c3ccc(=O)n(-c4ccccc4Oc4ccccc4)n3)s2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.36
CYP2C9 P11712 2/20 0.35
MAPK13 O15264 1/20 0.35
MAPK11 Q15759 1/20 0.35
SCN9A Q15858 5/20 0.33
CHEK2 O96017 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK8 P45983 2/20 0.33
BTK Q06187 2/20 0.33
MRGPRX2 Q96LB1 2/20 0.33
CYP1A2 P05177 2/20 0.33
MAPK10 P53779 1/20 0.33
NPC1 O15118 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5799224 0.92 MAPK13 (0.37) MCHR1CYP2C9MAPK13MAPK11CYP3A4
SCHEMBL5795738 0.88 MAPK13 (0.46) MCHR1CYP2C9MAPK13MAPK11CHEK2
SCHEMBL5796380 0.88 MAPK11 (0.39) MCHR1CYP2C9MAPK13MAPK11CHEK2
SCHEMBL5813023 0.87 CYP2C9 (0.37) MCHR1CYP2C9MAPK13MAPK11CHEK2
SCHEMBL5817772 0.86 MAPK13 (0.40) MCHR1CYP2C9MAPK13MAPK11CHEK2
SCHEMBL5798480 0.85 MAPK13 (0.40) MCHR1CYP2C9MAPK13MAPK11CHEK2
SCHEMBL5795724 0.82 MAPK13 (0.37) MCHR1CYP2C9MAPK13MAPK11CHEK2
SCHEMBL5796356 0.78 MAPK13 (0.40) CYP2C9MAPK13MAPK11CHEK2MAPK8
SCHEMBL5797394 0.77 MAPK8 (0.40) CYP2C9MAPK8BTKMRGPRX2CYP1A2
SCHEMBL5797429 0.77 MAPK8 (0.38) MCHR1CYP2C9MAPK13MAPK11MAPK8

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