SCHEMBL6508657

SCHEMBL6508657

CCCCOc1ccc(CCNc2ccc3[nH]c(C)nc3c2F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
GLA P06280 1/20 0.45
BACE1 P56817 1/20 0.37
ATM Q13315 1/20 0.37
CSNK2A1 P68400 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL6507837 0.87 SMN1; SMN2 (0.47) SMN1; SMN2GLABACE1ATMCSNK2A1
SCHEMBL6509803 0.86 SMN1; SMN2 (0.50) SMN1; SMN2GLABACE1ATMCSNK2A1
SCHEMBL6509735 0.80 SMN1; SMN2 (0.52) SMN1; SMN2GLABACE1ATMCSNK2A1
SCHEMBL6506398 0.69 HRH4 (0.34) SMN1; SMN2DRD2DRD4DRD3S1PR2
SCHEMBL9399818 0.68 SMN1; SMN2 (0.77) SMN1; SMN2GLABACE1ATMCSNK2A1
SCHEMBL6506659 0.67 SMN1; SMN2 (0.46) SMN1; SMN2GLABACE1ATMCSNK2A1
SCHEMBL5145877 0.67 SMN1; SMN2 (0.47) SMN1; SMN2GLABACE1ATMCSNK2A1
SCHEMBL5146702 0.65 SMN1; SMN2 (0.71) SMN1; SMN2GLABACE1ATMCSNK2A1
SCHEMBL9398842 0.65 SMN1; SMN2 (0.70) SMN1; SMN2GLABACE1ATMCSNK2A1
SCHEMBL15189516 0.64 SMN1; SMN2 (0.69) SMN1; SMN2GLABACE1ATMCSNK2A1

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-2005108374-A1 INSECTICIDAL DIAZOLE AND TRIAZOLE DERIVATIVES FMC CORPORATION (US) 2005-11-17 WO disclosed