SCHEMBL6510643

SCHEMBL6510643

CCCCOc1ccc(CCOC2CCCc3[nH]c(C)nc32)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

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
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
CSNK2A1 P68400 2/20 0.36
S1PR4 O95977 3/20 0.34
TRPV1 Q8NER1 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL6509735 0.70 SMN1; SMN2 (0.52) SMN1; SMN2GLABACE1ATMHPGD
SCHEMBL6509803 0.69 SMN1; SMN2 (0.50) SMN1; SMN2GLABACE1ATMHPGD
SCHEMBL9399818 0.68 SMN1; SMN2 (0.77) SMN1; SMN2GLABACE1ATMHPGD
SCHEMBL5142147 0.68 SMN1; SMN2 (0.49) SMN1; SMN2GLABACE1ATMHPGD
SCHEMBL5146702 0.67 SMN1; SMN2 (0.71) SMN1; SMN2GLABACE1ATMHPGD
SCHEMBL6507837 0.66 SMN1; SMN2 (0.47) SMN1; SMN2GLABACE1ATMHPGD
SCHEMBL5144000 0.66 SMN1; SMN2 (0.54) SMN1; SMN2GLABACE1ATMHPGD
SCHEMBL9398842 0.65 SMN1; SMN2 (0.70) SMN1; SMN2GLABACE1ATMHPGD
SCHEMBL15189516 0.64 SMN1; SMN2 (0.69) SMN1; SMN2GLABACE1ATMHPGD
SCHEMBL6508657 0.63 SMN1; SMN2 (0.45) SMN1; SMN2GLABACE1ATMHPGD

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