SCHEMBL5808499

SCHEMBL5808499

Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)n[nH]c2NCCN2CCOCC2)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.48
MAPK11 Q15759 2/20 0.48
CYP2C9 P11712 1/20 0.48
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 2/20 0.40
CHRM1 P11229 2/20 0.40
CNR2 P34972 1/20 0.38
CYP3A4 P08684 5/20 0.38
CYP1A2 P05177 3/20 0.38
LMNA P02545 2/20 0.38
CYP2D6 P10635 2/20 0.38
CNR1 P21554 1/20 0.38
ACHE P22303 1/20 0.38
HTR2B P41595 1/20 0.38
KCNH2 Q12809 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDE5A O76074 3/20 0.37
TLR9 Q9NR96 1/20 0.37
HSD17B10 Q99714 3/20 0.37

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
SCHEMBL4246294 0.85 MAPK11 (0.55) MAPK13MAPK11CYP2C9HPGDALDH1A1
SCHEMBL5812295 0.84 MAPK13 (0.53) MAPK13MAPK11CYP2C9CYP1A2CYP2D6
SCHEMBL5806880 0.84 MAPK13 (0.50) MAPK13MAPK11CYP2C9HPGDLMNA
SCHEMBL5811657 0.84 MAPK11 (0.54) MAPK13MAPK11CYP2C9ALDH1A1KDM4E
SCHEMBL4240989 0.82 MAPK13 (0.50) MAPK13MAPK11CYP2C9CNR1MAPK12
SCHEMBL4241311 0.81 MAPK13 (0.51) MAPK13MAPK11CYP2C9CNR1MAPK12
SCHEMBL4240672 0.81 MAPK13 (0.48) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4245202 0.79 MAPK13 (0.53) MAPK13MAPK11CYP2C9ALDH1A1KDM4E
SCHEMBL4245986 0.79 MAPK13 (0.53) MAPK13MAPK11CYP2C9ALDH1A1KDM4E
SCHEMBL4243633 0.79 MAPK13 (0.49) MAPK13MAPK11CYP2C9ALDH1A1KDM4E

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