SCHEMBL6509735

SCHEMBL6509735

CCCCOc1ccc(CCOc2ccc3[nH]c(C)nc3c2C)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
GLA P06280 1/20 0.52
BACE1 P56817 1/20 0.42
ATM Q13315 1/20 0.42
CSNK2A1 P68400 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
RHEB Q15382 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
PPARG P37231 1/20 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

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
SCHEMBL6509803 0.89 SMN1; SMN2 (0.50) SMN1; SMN2GLABACE1ATMCSNK2A1
SCHEMBL6508657 0.80 SMN1; SMN2 (0.45) SMN1; SMN2GLABACE1ATMCSNK2A1
SCHEMBL6507837 0.80 SMN1; SMN2 (0.47) SMN1; SMN2GLABACE1ATMCSNK2A1
SCHEMBL6509412 0.77 DRD2 (0.35) PPARGDRD2DRD4DRD3
SCHEMBL9399818 0.74 SMN1; SMN2 (0.77) SMN1; SMN2GLABACE1ATMCSNK2A1
SCHEMBL5146702 0.70 SMN1; SMN2 (0.71) SMN1; SMN2GLABACE1ATMCSNK2A1
SCHEMBL6510643 0.70 SMN1; SMN2 (0.45) SMN1; SMN2GLABACE1ATMCSNK2A1
SCHEMBL9398842 0.70 SMN1; SMN2 (0.70) SMN1; SMN2GLABACE1ATMCSNK2A1
SCHEMBL15189516 0.70 SMN1; SMN2 (0.69) SMN1; SMN2GLABACE1ATMCSNK2A1
SCHEMBL5144000 0.69 SMN1; SMN2 (0.54) 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