SCHEMBL7911480

SCHEMBL7911480

O=c1ccn(-c2cccc(CC(F)F)c2)nc1-c1ccnn1-c1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.49
ALDH1A1 P00352 5/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 3/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
HPGD P15428 1/20 0.33
DAPK3 O43293 1/20 0.32
FLT1 P17948 1/20 0.32
DYRK1A Q13627 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 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
SCHEMBL2507066 0.85 PDE10A (0.53) PDE10AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2750737 0.85 PDE10A (0.58) PDE10AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2749825 0.84 PDE10A (0.55) PDE10AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3506272 0.81 PDE10A (0.51) PDE10AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2500427 0.80 PDE10A (0.49) PDE10AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2501842 0.80 PDE10A (0.58) PDE10AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2502039 0.80 PDE10A (0.47) PDE10AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2496108 0.78 PDE10A (0.47) PDE10AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2504175 0.78 PDE10A (0.52) PDE10AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL14315140 0.78 PDE10A (0.46) PDE10AALDH1A1CYP1A2CYP3A4CYP2C9

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-2010063610-A1 PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed