SCHEMBL6506659

SCHEMBL6506659

CCCCOc1ccc(CCNc2ccc3c(c2)[nH]c(=O)n3C)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
GLA P06280 1/20 0.46
MAOB P27338 4/20 0.44
ATM Q13315 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
BACE1 P56817 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TP53 P04637 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 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
SCHEMBL5142146 0.71 XBP1 (0.49) SMN1; SMN2GLAATMMEN1KMT2A
SCHEMBL10264577 0.69 LMNA (0.50) MAOBMAPTLMNATP53
SCHEMBL9399818 0.69 SMN1; SMN2 (0.77) SMN1; SMN2GLAATMMEN1KMT2A
SCHEMBL5327794 0.68 MAOB (0.49) MAOBMEN1KMT2AMAPTLMNA
SCHEMBL19373120 0.68 SMN1; SMN2 (0.60) SMN1; SMN2GLAATMMEN1KMT2A
SCHEMBL6508657 0.67 SMN1; SMN2 (0.45) SMN1; SMN2GLAATMMEN1KMT2A
SCHEMBL6507837 0.67 SMN1; SMN2 (0.47) SMN1; SMN2GLAATMMEN1KMT2A
SCHEMBL5146702 0.66 SMN1; SMN2 (0.71) SMN1; SMN2GLAATMMEN1KMT2A
SCHEMBL9398842 0.65 SMN1; SMN2 (0.70) SMN1; SMN2GLAATMMEN1KMT2A
SCHEMBL15189516 0.65 SMN1; SMN2 (0.69) SMN1; SMN2GLAATMMEN1KMT2A

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